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

C16H14N2O2S — CID 46347103

IUPACN-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2ncoc2-c2cccs2)c1
InChIInChI=1S/C16H14N2O2S/c1-2-11-5-3-6-12(9-11)18-16(19)14-15(20-10-17-14)13-7-4-8-21-13/h3-10H,2H2,1H3,(H,18,19)
InChIKeyHSNDZGNTDQUUKH-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.22
Rot. Bonds4

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

N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 46347103) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID46347103
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2ncoc2-c2cccs2)c1
InChIInChI=1S/C16H14N2O2S/c1-2-11-5-3-6-12(9-11)18-16(19)14-15(20-10-17-14)13-7-4-8-21-13/h3-10H,2H2,1H3,(H,18,19)
InChIKeyHSNDZGNTDQUUKH-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-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 86899332
N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75467874
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768665
N-(2-carbamoylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 16672225
5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide
CID 7451570
N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347121
N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 110219072
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(3-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981706
methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
CID 110689290
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-(3-ethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7456673

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 46347103) is N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CCc1cccc(NC(=O)c2ncoc2-c2cccs2)c1.
What is the InChIKey of N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is HSNDZGNTDQUUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-11-5-3-6-12(9-11)18-16(19)14-15(20-10-17-14)13-7-4-8-21-13/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-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-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).