5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C15H11ClN2O2S — CID 3238357

IUPAC5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C15H11ClN2O2S/c16-11-4-1-3-10(7-11)14-8-13(18-20-14)15(19)17-9-12-5-2-6-21-12/h1-8H,9H2,(H,17,19)
InChIKeyCXPFWZIGWAMZDM-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.99
Rot. Bonds4

About 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3238357) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID3238357
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C15H11ClN2O2S/c16-11-4-1-3-10(7-11)14-8-13(18-20-14)15(19)17-9-12-5-2-6-21-12/h1-8H,9H2,(H,17,19)
InChIKeyCXPFWZIGWAMZDM-UHFFFAOYSA-N
XLogP3.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-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

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
N3-(4-chlorophenyl)-5-(2-thienyl)isoxazole-3-carboxamide
CID 2745203
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-Isopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 2745205
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 3238357) is 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cccs1)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CXPFWZIGWAMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-11-4-1-3-10(7-11)14-8-13(18-20-14)15(19)17-9-12-5-2-6-21-12/h1-8H,9H2,(H,17,19).
What are the key properties of 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 318.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).