N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C16H13ClN2O2S — CID 32826150

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C16H13ClN2O2S/c1-10-14(15(19-21-10)11-5-3-2-4-6-11)16(20)18-9-12-7-8-13(17)22-12/h2-8H,9H2,1H3,(H,18,20)
InChIKeyLWRQPCLVHZCUDF-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.29
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 32826150) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID32826150
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C16H13ClN2O2S/c1-10-14(15(19-21-10)11-5-3-2-4-6-11)16(20)18-9-12-7-8-13(17)22-12/h2-8H,9H2,1H3,(H,18,20)
InChIKeyLWRQPCLVHZCUDF-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-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-[(1,5-dimethylpyrrol-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17423337
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512
3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 86836013
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
CID 57328394
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2629937
5-methyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 134054985
3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 90546480
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide
CID 33177904
5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 9142942
N-[[3-(methanesulfonamidomethyl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167854783

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 32826150) is N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is LWRQPCLVHZCUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-10-14(15(19-21-10)11-5-3-2-4-6-11)16(20)18-9-12-7-8-13(17)22-12/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 32826150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).