4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine

C15H12N2O3S — CID 13449569

IUPAC4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c16-15-14(21(18,19)12-9-5-2-6-10-12)13(17-20-15)11-7-3-1-4-8-11/h1-10H,16H2
InChIKeyAJKQJCBXOGWHLL-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.76
Rot. Bonds3

About 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine

4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine (PubChem CID 13449569) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine
PubChem CID13449569
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c16-15-14(21(18,19)12-9-5-2-6-10-12)13(17-20-15)11-7-3-1-4-8-11/h1-10H,16H2
InChIKeyAJKQJCBXOGWHLL-UHFFFAOYSA-N
XLogP2.76
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine
CID 13413417
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 10171927
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
[5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone
CID 100993333
2-amino-5-(benzenesulfonyl)-4,6-diphenylbenzene-1,3-dicarbonitrile
CID 10836634
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine (CID 13449569) is 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine?
The InChIKey is AJKQJCBXOGWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c16-15-14(21(18,19)12-9-5-2-6-10-12)13(17-20-15)11-7-3-1-4-8-11/h1-10H,16H2.
What are the key properties of 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine?
4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine has a molecular weight of 300.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 13449569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).