3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

C16H13N3O3S — CID 4879369

IUPAC3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1nnc(-c2ccco2)n1-c1ccccc1
InChIInChI=1S/C16H13N3O3S/c20-15-13(8-10-22-15)23-16-18-17-14(12-7-4-9-21-12)19(16)11-5-2-1-3-6-11/h1-7,9,13H,8,10H2
InChIKeyFKLCMGRRRTZOFB-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.93
Rot. Bonds4

About 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one (PubChem CID 4879369) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
PubChem CID4879369
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1nnc(-c2ccco2)n1-c1ccccc1
InChIInChI=1S/C16H13N3O3S/c20-15-13(8-10-22-15)23-16-18-17-14(12-7-4-9-21-12)19(16)11-5-2-1-3-6-11/h1-7,9,13H,8,10H2
InChIKeyFKLCMGRRRTZOFB-UHFFFAOYSA-N
XLogP2.93
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one 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-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one?
The IUPAC name of 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one (CID 4879369) is 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one.
What is the SMILES notation for 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one?
The canonical SMILES for 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one is O=C1OCCC1Sc1nnc(-c2ccco2)n1-c1ccccc1.
What is the InChIKey of 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one?
The InChIKey is FKLCMGRRRTZOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-15-13(8-10-22-15)23-16-18-17-14(12-7-4-9-21-12)19(16)11-5-2-1-3-6-11/h1-7,9,13H,8,10H2.
What are the key properties of 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one?
3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one has a molecular weight of 327.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one is sourced from PubChem (CID 4879369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).