CAS 59908-70-2

1 2D Structure

CAS 59908-70-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(1,2,4-oxadiazol-3-yl)aniline

2.1.2 InChI

InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H,9H2

2.1.3 InChI Key

KGUZRMOXECFUGA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C2=NOC=N2)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 59908-70-2

2. Schembl70247

3. Chembl20957

4. Dtxsid50614555

5. Kguzrmoxecfuga-uhfffaoysa-n

6. Mfcd11156796

7. Akos009186231

8. Ab22802

9. Sb18135

10. 4-[1,2,4]oxadiazol-3-yl-phenylamine

11. 4-([1,2,4]oxadiazol-3-yl)phenylamine

12. 4-[1,2,4] Oxadiazol-3-yl-phenylamine

13. 4-[1,2,4]-oxadiazol-3-yl-phenylamine

14. As-44640

15. 4-[1, 2, 4]oxadiazol-3-yl-phenylamine

16. 4-[1, 2, 4]-oxadiazol-3-yl-phenylamine

17. Cs-0157499

18. Ft-0753484

19. En300-66238

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₈H₇N₃O
Molecular Weight	161.16 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	64.9
Heavy Atom Count	12
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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