(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide

C14H13ClN4O2S — CID 97465587

IUPAC(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)s1
InChIInChI=1S/C14H13ClN4O2S/c1-8-17-18-13(22-8)16-12(20)14(2)7-11(19-21-14)9-5-3-4-6-10(9)15/h3-6H,7H2,1-2H3,(H,16,18,20)/t14-/m0/s1
InChIKeyHVHGPGFRXHIKDF-AWEZNQCLSA-N
MW336.80 g/mol
LogP3.02
Rot. Bonds3

About (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide

(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465587) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
PubChem CID97465587
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)s1
InChIInChI=1S/C14H13ClN4O2S/c1-8-17-18-13(22-8)16-12(20)14(2)7-11(19-21-14)9-5-3-4-6-10(9)15/h3-6H,7H2,1-2H3,(H,16,18,20)/t14-/m0/s1
InChIKeyHVHGPGFRXHIKDF-AWEZNQCLSA-N
XLogP3.02
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide 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

5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551808
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946065
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304
(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465439
(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465601
3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46951654
3-(2-chlorophenyl)-5-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 46951655
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide
CID 91399310
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
4-(aminomethyl)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 120927245
(5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide
CID 100756108
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 2147655

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide (CID 97465587) is (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide is Cc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)s1.
What is the InChIKey of (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is HVHGPGFRXHIKDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-8-17-18-13(22-8)16-12(20)14(2)7-11(19-21-14)9-5-3-4-6-10(9)15/h3-6H,7H2,1-2H3,(H,16,18,20)/t14-/m0/s1.
What are the key properties of (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 336.80 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).