5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide

C10H7N5O2S — CID 52575142

IUPAC5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2cccs2)on1
InChIInChI=1S/C10H7N5O2S/c16-9(13-10-11-5-12-14-10)6-4-7(17-15-6)8-2-1-3-18-8/h1-5H,(H2,11,12,13,14,16)
InChIKeyWCRORQOHAKGTEQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.77
Rot. Bonds3

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

5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 52575142) has the molecular formula C10H7N5O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID52575142
Molecular FormulaC10H7N5O2S
Molecular Weight261.27 g/mol
Exact Mass261.03
IUPAC Name5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2cccs2)on1
InChIInChI=1S/C10H7N5O2S/c16-9(13-10-11-5-12-14-10)6-4-7(17-15-6)8-2-1-3-18-8/h1-5H,(H2,11,12,13,14,16)
InChIKeyWCRORQOHAKGTEQ-UHFFFAOYSA-N
XLogP1.77
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide (CID 52575142) is 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1ncn[nH]1)c1cc(-c2cccs2)on1.
What is the InChIKey of 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is WCRORQOHAKGTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S/c16-9(13-10-11-5-12-14-10)6-4-7(17-15-6)8-2-1-3-18-8/h1-5H,(H2,11,12,13,14,16).
What are the key properties of 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide?
5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 261.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52575142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).