N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H14N2O2S — CID 15988671

IUPACN-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C16H14N2O2S/c1-2-11-5-7-12(8-6-11)17-16(19)13-10-14(20-18-13)15-4-3-9-21-15/h3-10H,2H2,1H3,(H,17,19)
InChIKeyFMDFVSXKLLHALQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.22
Rot. Bonds4

About N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 15988671) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID15988671
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C16H14N2O2S/c1-2-11-5-7-12(8-6-11)17-16(19)13-10-14(20-18-13)15-4-3-9-21-15/h3-10H,2H2,1H3,(H,17,19)
InChIKeyFMDFVSXKLLHALQ-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(2-hydroxy-5-methylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253067
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
N-(4-methoxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253078
N-(4-ethylphenyl)(5-propylisoxazol-3-yl)carboxamide
CID 17253304
N-(4-chlorophenyl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 2745203
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
N-(3-hydroxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253072
N-[3-carbamoyl-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 996494
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 15988671) is N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CCc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FMDFVSXKLLHALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-11-5-7-12(8-6-11)17-16(19)13-10-14(20-18-13)15-4-3-9-21-15/h3-10H,2H2,1H3,(H,17,19).
What are the key properties of N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).