5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C16H14N2O2S — CID 1093788

IUPAC5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-4-6-12(7-5-11)15-9-14(18-20-15)16(19)17-10-13-3-2-8-21-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyGKQABTLRUGGLMW-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.64
Rot. Bonds4

About 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093788) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID1093788
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-4-6-12(7-5-11)15-9-14(18-20-15)16(19)17-10-13-3-2-8-21-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyGKQABTLRUGGLMW-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
(R)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl)isoxazole-3-carboxamide
CID 90345378
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
N-[3-carbamoyl-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 996494
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-(propan-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-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-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 1093788) is 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GKQABTLRUGGLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-4-6-12(7-5-11)15-9-14(18-20-15)16(19)17-10-13-3-2-8-21-13/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).