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

C15H13N3O2S — CID 51305009

IUPACN-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H13N3O2S/c19-15(17-8-6-11-4-1-2-7-16-11)12-10-13(20-18-12)14-5-3-9-21-14/h1-5,7,9-10H,6,8H2,(H,17,19)
InChIKeyNDGJJSJJIZXQEV-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.77
Rot. Bonds5

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

N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 51305009) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID51305009
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H13N3O2S/c19-15(17-8-6-11-4-1-2-7-16-11)12-10-13(20-18-12)14-5-3-9-21-14/h1-5,7,9-10H,6,8H2,(H,17,19)
InChIKeyNDGJJSJJIZXQEV-UHFFFAOYSA-N
XLogP2.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
2-methyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 39897614
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 46354883
N-[3-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990203
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
1,3-dimethyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39898025
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022299
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 51305009) is N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCc1ccccn1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NDGJJSJJIZXQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-15(17-8-6-11-4-1-2-7-16-11)12-10-13(20-18-12)14-5-3-9-21-14/h1-5,7,9-10H,6,8H2,(H,17,19).
What are the key properties of N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51305009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).