Close
4
pipeline-prospector-insert-v1
X

Overview

Client Email Product
CAS 171284-84-7
PharmaCompass
CAS 171284-84-7
Also known as: 171284-84-7, (3r,7as)-3-(tert-butyl)dihydropyrrolo[1,2-c]oxazole-1,5(3h,6h)-dione, (3r,7as)-3-tert-butyl-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,5-dione, Chembl397977, Schembl15450153, Dtxsid10451261
Molecular Formula
C10H15NO3
Molecular Weight
197.234  g/mol
InChI Key
XKHXNEYLUYSDJF-IMTBSYHQSA-N

1 2D Structure

CAS 171284-84-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,7aS)-3-tert-butyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,5-dione
2.1.2 InChI
InChI=1S/C10H15NO3/c1-10(2,3)9-11-6(8(13)14-9)4-5-7(11)12/h6,9H,4-5H2,1-3H3/t6-,9+/m0/s1
2.1.3 InChI Key
XKHXNEYLUYSDJF-IMTBSYHQSA-N
2.1.4 Canonical SMILES
CC(C)(C)C1N2C(CCC2=O)C(=O)O1
2.1.5 Isomeric SMILES
CC(C)(C)[C@@H]1N2[C@@H](CCC2=O)C(=O)O1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 171284-84-7

2. (3r,7as)-3-(tert-butyl)dihydropyrrolo[1,2-c]oxazole-1,5(3h,6h)-dione

3. (3r,7as)-3-tert-butyl-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,5-dione

4. Chembl397977

5. Schembl15450153

6. Dtxsid10451261

7. Mfcd26940122

8. Zinc28708754

9. Akos022172243

10. Fch3898770

11. Aj-83571

12. Ak137244

13. Ax8258812

14. Kb-207596

15. Bg00916780

16. Ft-0770564

17. (3r,7as)-3-(t-butyl)dihydro-1h,3h-pyrrolo[1,2-c]oxazole-1,5(6h)-dione

18. (3r,7as)-3-tert-butyldihydropyrrolo[1,2-c]oxazole-1,5(3h,6h)-dione

19. (3r,7as)-3-(tert-butyl)dihydro-1h,3h-pyrrolo[1,2-c]oxazole-1,5(6h)-dione

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 197.234 g/mol
Molecular Formula C10H15NO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass197.105 g/mol
Monoisotopic Mass197.105 g/mol
Topological Polar Surface Area46.6 A^2
Heavy Atom Count14
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us