1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-amine

2.1.2 InChI

InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)

2.1.3 InChI Key

HTIZPBXCJPQDEM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC(=C3)C4=CC=CC=N4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. N-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-amine

2. 1y6a

3. Aaz

4. 2-anilino-5-aryloxazole 39

5. Bdbm5875

6. Chembl194176

7. Schembl5200138

8. Db07334

9. N-[5-(ethanesulfonyl)-2-methoxyphenyl]-5-[3-(pyridin-2-yl)phenyl]-1,3-oxazol-2-amine

10. Q27096562

11. (n-(5-(ethylsulfonyl)-2-methoxyphenyl)-5-(3-(pyridin-2-yl)phenyl)oxazol-2-amine)

12. N-[2-methoxy-5-(ethylsulfonyl)phenyl]-5-[3-(2-pyridinyl)phenyl]oxazole-2-amine

2.3 Create Date

2005-09-14

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₁N₃O₄S
Molecular Weight	435.5 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	435.12527733 g/mol
Monoisotopic Mass	435.12527733 g/mol
Topological Polar Surface Area	103 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	670
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

AAZ