N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H12N2O3S — CID 17253076

IUPACN-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1
InChIInChI=1S/C16H12N2O3S/c1-10(19)11-4-2-5-12(8-11)17-16(20)13-9-14(21-18-13)15-6-3-7-22-15/h2-9H,1H3,(H,17,20)
InChIKeyWTBPWIMPGLFEAJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.86
Rot. Bonds4

About N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17253076) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17253076
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1
InChIInChI=1S/C16H12N2O3S/c1-10(19)11-4-2-5-12(8-11)17-16(20)13-9-14(21-18-13)15-6-3-7-22-15/h2-9H,1H3,(H,17,20)
InChIKeyWTBPWIMPGLFEAJ-UHFFFAOYSA-N
XLogP3.86
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55609816
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
CID 8741850
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71493009
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
N-(3-acetylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285193
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17253076) is N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WTBPWIMPGLFEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-10(19)11-4-2-5-12(8-11)17-16(20)13-9-14(21-18-13)15-6-3-7-22-15/h2-9H,1H3,(H,17,20).
What are the key properties of N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).