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

C12H12N6OS — CID 110656584

IUPAC2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCn1nnnc1SCc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C12H12N6OS/c1-18-12(15-16-17-18)20-8-11-14-13-10(19-11)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyQGZHOGXGRVZJAV-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.48
Rot. Bonds5

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

2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 110656584) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID110656584
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCn1nnnc1SCc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C12H12N6OS/c1-18-12(15-16-17-18)20-8-11-14-13-10(19-11)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyQGZHOGXGRVZJAV-UHFFFAOYSA-N
XLogP1.48
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-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

Related Compounds

2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 130620136
2-benzyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656576
2-benzyl-5-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 51100348
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-propyl-1,3,4-oxadiazole
CID 8707833
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenanthridine
CID 23965795
2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002
2-benzyl-5-(bromomethyl)-1,3,4-oxadiazole
CID 89104418
N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 79239132
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 24577240
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 110656584) is 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole is Cn1nnnc1SCc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is QGZHOGXGRVZJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-18-12(15-16-17-18)20-8-11-14-13-10(19-11)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 288.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110656584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).