3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole

C17H20N6OS — CID 38875522

IUPAC3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CSc3nnnn3C3CCCCC3)n2)cc1
InChIInChI=1S/C17H20N6OS/c1-3-7-13(8-4-1)11-15-18-16(24-20-15)12-25-17-19-21-22-23(17)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyROLPOOLCJHGJFS-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.44
Rot. Bonds6

About 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole

3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 38875522) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID38875522
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CSc3nnnn3C3CCCCC3)n2)cc1
InChIInChI=1S/C17H20N6OS/c1-3-7-13(8-4-1)11-15-18-16(24-20-15)12-25-17-19-21-22-23(17)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyROLPOOLCJHGJFS-UHFFFAOYSA-N
XLogP3.44
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-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 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 38875522) is 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole is c1ccc(Cc2noc(CSc3nnnn3C3CCCCC3)n2)cc1.
What is the InChIKey of 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is ROLPOOLCJHGJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-3-7-13(8-4-1)11-15-18-16(24-20-15)12-25-17-19-21-22-23(17)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2.
What are the key properties of 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 356.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 38875522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).