5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C12H11N5O2S — CID 25167320

IUPAC5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H11N5O2S/c18-12(14-3-4-17-8-13-7-15-17)9-6-10(19-16-9)11-2-1-5-20-11/h1-2,5-8H,3-4H2,(H,14,18)
InChIKeyNFOZIZCUGFDXPV-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.42
Rot. Bonds5

About 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 25167320) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID25167320
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H11N5O2S/c18-12(14-3-4-17-8-13-7-15-17)9-6-10(19-16-9)11-2-1-5-20-11/h1-2,5-8H,3-4H2,(H,14,18)
InChIKeyNFOZIZCUGFDXPV-UHFFFAOYSA-N
XLogP1.42
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 25167320) is 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCn1cncn1)c1cc(-c2cccs2)on1.
What is the InChIKey of 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NFOZIZCUGFDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-12(14-3-4-17-8-13-7-15-17)9-6-10(19-16-9)11-2-1-5-20-11/h1-2,5-8H,3-4H2,(H,14,18).
What are the key properties of 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25167320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).