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

C16H14N2O2S — CID 3240914

IUPACN-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)on1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-11(12-6-3-2-4-7-12)17-16(19)13-10-14(20-18-13)15-8-5-9-21-15/h2-11H,1H3,(H,17,19)
InChIKeyPRSCTAXLCSTWAE-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

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

N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3240914) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3240914
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)on1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-11(12-6-3-2-4-7-12)17-16(19)13-10-14(20-18-13)15-8-5-9-21-15/h2-11H,1H3,(H,17,19)
InChIKeyPRSCTAXLCSTWAE-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(2-hydroxy-5-methylphenyl)-5-(2-thienyl)-3-isoxazolecarboxamide
CID 17253067
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
4-{[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 3242386
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N3-(4-chlorophenyl)-5-(2-thienyl)isoxazole-3-carboxamide
CID 2745203
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 6465157
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3240914) is N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(-c2cccs2)on1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PRSCTAXLCSTWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11(12-6-3-2-4-7-12)17-16(19)13-10-14(20-18-13)15-8-5-9-21-15/h2-11H,1H3,(H,17,19).
What are the key properties of N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3240914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).