4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide

C16H14N2O2S — CID 110689356

IUPAC4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NCCc1cccs1)c1ocnc1-c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-16(17-9-8-13-7-4-10-21-13)15-14(18-11-20-15)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyAKKQUDMCDMSEEB-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.38
Rot. Bonds5

About 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide

4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide (PubChem CID 110689356) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
PubChem CID110689356
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NCCc1cccs1)c1ocnc1-c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-16(17-9-8-13-7-4-10-21-13)15-14(18-11-20-15)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyAKKQUDMCDMSEEB-UHFFFAOYSA-N
XLogP3.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide
CID 110689386
N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 110689389
4-amino-3-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazole-5-carboxamide
CID 53335695
2-methyl-6-phenyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 24532142
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684821
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46354001

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide (CID 110689356) is 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide is O=C(NCCc1cccs1)c1ocnc1-c1ccccc1.
What is the InChIKey of 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is AKKQUDMCDMSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(17-9-8-13-7-4-10-21-13)15-14(18-11-20-15)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19).
What are the key properties of 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide?
4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110689356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).