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

C12H11N5O2S — CID 24738481

IUPAC5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(-c2ccsc2)on1
InChIInChI=1S/C12H11N5O2S/c18-12(14-2-3-17-8-13-7-15-17)10-5-11(19-16-10)9-1-4-20-6-9/h1,4-8H,2-3H2,(H,14,18)
InChIKeyLXVATUFJTGTZCB-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.42
Rot. Bonds5

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

5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24738481) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24738481
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(-c2ccsc2)on1
InChIInChI=1S/C12H11N5O2S/c18-12(14-2-3-17-8-13-7-15-17)10-5-11(19-16-10)9-1-4-20-6-9/h1,4-8H,2-3H2,(H,14,18)
InChIKeyLXVATUFJTGTZCB-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

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24738481) is 5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCn1cncn1)c1cc(-c2ccsc2)on1.
What is the InChIKey of 5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LXVATUFJTGTZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-12(14-2-3-17-8-13-7-15-17)10-5-11(19-16-10)9-1-4-20-6-9/h1,4-8H,2-3H2,(H,14,18).
What are the key properties of 5-thiophen-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-thiophen-3-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-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24738481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).