5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole

C12H12N6O — CID 47014414

IUPAC5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nnn(Cc3noc(C)n3)n2)cc1
InChIInChI=1S/C12H12N6O/c1-8-3-5-10(6-4-8)12-14-17-18(15-12)7-11-13-9(2)19-16-11/h3-6H,7H2,1-2H3
InChIKeyUVLORVLGFFFHSS-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.39
Rot. Bonds3

About 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole (PubChem CID 47014414) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
PubChem CID47014414
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nnn(Cc3noc(C)n3)n2)cc1
InChIInChI=1S/C12H12N6O/c1-8-3-5-10(6-4-8)12-14-17-18(15-12)7-11-13-9(2)19-16-11/h3-6H,7H2,1-2H3
InChIKeyUVLORVLGFFFHSS-UHFFFAOYSA-N
XLogP1.39
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-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 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole (CID 47014414) is 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole is Cc1ccc(-c2nnn(Cc3noc(C)n3)n2)cc1.
What is the InChIKey of 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is UVLORVLGFFFHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-8-3-5-10(6-4-8)12-14-17-18(15-12)7-11-13-9(2)19-16-11/h3-6H,7H2,1-2H3.
What are the key properties of 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 256.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47014414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).