3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole

C13H12N4O3S2 — CID 71857400

IUPAC3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)c1nnc(-c2cccs2)n1C1CC1
InChIInChI=1S/C13H12N4O3S2/c18-22(19,8-9-5-6-20-16-9)13-15-14-12(11-2-1-7-21-11)17(13)10-3-4-10/h1-2,5-7,10H,3-4,8H2
InChIKeyJQSBLAOXRFWPMW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.30
Rot. Bonds5

About 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole

3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole (PubChem CID 71857400) has the molecular formula C13H12N4O3S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole
PubChem CID71857400
Molecular FormulaC13H12N4O3S2
Molecular Weight336.40 g/mol
Exact Mass336.04
IUPAC Name3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)c1nnc(-c2cccs2)n1C1CC1
InChIInChI=1S/C13H12N4O3S2/c18-22(19,8-9-5-6-20-16-9)13-15-14-12(11-2-1-7-21-11)17(13)10-3-4-10/h1-2,5-7,10H,3-4,8H2
InChIKeyJQSBLAOXRFWPMW-UHFFFAOYSA-N
XLogP2.30
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole 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 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole (CID 71857400) is 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole is O=S(=O)(Cc1ccon1)c1nnc(-c2cccs2)n1C1CC1.
What is the InChIKey of 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole?
The InChIKey is JQSBLAOXRFWPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c18-22(19,8-9-5-6-20-16-9)13-15-14-12(11-2-1-7-21-11)17(13)10-3-4-10/h1-2,5-7,10H,3-4,8H2.
What are the key properties of 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole?
3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole has a molecular weight of 336.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 71857400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).