(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide

C15H19N3O4S — CID 95264542

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
SMILESCc1cc(NC(=O)[C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)no1
InChIInChI=1S/C15H19N3O4S/c1-10-8-14(18-22-10)17-15(19)11(2)16-13-6-4-12(5-7-13)9-23(3,20)21/h4-8,11,16H,9H2,1-3H3,(H,17,18,19)/t11-/m0/s1
InChIKeyGFHQKLNGWXOXIH-NSHDSACASA-N
MW337.40 g/mol
LogP1.97
Rot. Bonds6

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide (PubChem CID 95264542) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
PubChem CID95264542
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
SMILESCc1cc(NC(=O)[C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)no1
InChIInChI=1S/C15H19N3O4S/c1-10-8-14(18-22-10)17-15(19)11(2)16-13-6-4-12(5-7-13)9-23(3,20)21/h4-8,11,16H,9H2,1-3H3,(H,17,18,19)/t11-/m0/s1
InChIKeyGFHQKLNGWXOXIH-NSHDSACASA-N
XLogP1.97
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25350917
(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 39991942
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41016115
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)sulfamoyl]propanamide
CID 110429064
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95299330
N-(5-methyl-1,2-oxazol-3-yl)-2-(propylsulfamoylamino)propanamide
CID 110624121

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide (CID 95264542) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide is Cc1cc(NC(=O)[C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide?
The InChIKey is GFHQKLNGWXOXIH-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-8-14(18-22-10)17-15(19)11(2)16-13-6-4-12(5-7-13)9-23(3,20)21/h4-8,11,16H,9H2,1-3H3,(H,17,18,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide has a molecular weight of 337.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide is sourced from PubChem (CID 95264542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).