2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole

C16H18N6O3S — CID 53323340

IUPAC2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)N1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1
InChIInChI=1S/C16H18N6O3S/c1-26(23,24)21-9-7-13(8-10-21)22-11-14(17-20-22)16-19-18-15(25-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyQCYVYQMMJKJGGT-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.59
Rot. Bonds4

About 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole

2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 53323340) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID53323340
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)N1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1
InChIInChI=1S/C16H18N6O3S/c1-26(23,24)21-9-7-13(8-10-21)22-11-14(17-20-22)16-19-18-15(25-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyQCYVYQMMJKJGGT-UHFFFAOYSA-N
XLogP1.59
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole 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 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 53323340) is 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole is CS(=O)(=O)N1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1.
What is the InChIKey of 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is QCYVYQMMJKJGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-26(23,24)21-9-7-13(8-10-21)22-11-14(17-20-22)16-19-18-15(25-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 374.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 53323340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).