3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide

C15H12N2O2S — CID 47131140

IUPAC3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2-c2cccs2)on1
InChIInChI=1S/C15H12N2O2S/c1-10-9-13(19-17-10)15(18)16-12-6-3-2-5-11(12)14-7-4-8-20-14/h2-9H,1H3,(H,16,18)
InChIKeyGPELNVQEAUUDOK-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.96
Rot. Bonds3

About 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide

3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 47131140) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID47131140
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2-c2cccs2)on1
InChIInChI=1S/C15H12N2O2S/c1-10-9-13(19-17-10)15(18)16-12-6-3-2-5-11(12)14-7-4-8-20-14/h2-9H,1H3,(H,16,18)
InChIKeyGPELNVQEAUUDOK-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
CID 18224856
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 75414714
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-thiophen-2-ylphenyl)pyridazine-3-carboxamide
CID 18284299
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 103754168

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide (CID 47131140) is 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccccc2-c2cccs2)on1.
What is the InChIKey of 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GPELNVQEAUUDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-9-13(19-17-10)15(18)16-12-6-3-2-5-11(12)14-7-4-8-20-14/h2-9H,1H3,(H,16,18).
What are the key properties of 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47131140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).