benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole

C32H39N11O2 — CID 158555841

IUPACbenzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncon1.Cc1nn[nH]n1.Cc1nnco1.c1ccccc1
InChIInChI=1S/3C6H7N.C6H6.2C3H4N2O.C2H4N4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-2-3-5-6-4-2/h3*2-5H,1H3;1-6H;2*2H,1H3;1H3,(H,3,4,5,6)
InChIKeyHQGYSXBBGACILU-UHFFFAOYSA-N
MW609.74 g/mol
LogP6.12
Rot. Bonds

About benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole

benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole (PubChem CID 158555841) has the molecular formula C32H39N11O2 and a molecular weight of 609.74 g/mol. Its IUPAC name is benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole.

Molecular Properties

Compound Namebenzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole
PubChem CID158555841
Molecular FormulaC32H39N11O2
Molecular Weight609.74 g/mol
Exact Mass609.33
IUPAC Namebenzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncon1.Cc1nn[nH]n1.Cc1nnco1.c1ccccc1
InChIInChI=1S/3C6H7N.C6H6.2C3H4N2O.C2H4N4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-2-3-5-6-4-2/h3*2-5H,1H3;1-6H;2*2H,1H3;1H3,(H,3,4,5,6)
InChIKeyHQGYSXBBGACILU-UHFFFAOYSA-N
XLogP6.12
TPSA170.97 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500609.74
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole 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

2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole
CID 158220506
benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
CID 159432957
benzene;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
CID 159920709
benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;5-methyl-1H-1,2,4-triazole
CID 160063408
benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;5-methyl-2H-tetrazole
CID 160428284
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;methane;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole
CID 161002057

Frequently Asked Questions

What is the IUPAC name of benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole?
The IUPAC name of benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole (CID 158555841) is benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole.
What is the SMILES notation for benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole?
The canonical SMILES for benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole is Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncon1.Cc1nn[nH]n1.Cc1nnco1.c1ccccc1.
What is the InChIKey of benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole?
The InChIKey is HQGYSXBBGACILU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C6H6.2C3H4N2O.C2H4N4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-2-3-5-6-4-2/h3*2-5H,1H3;1-6H;2*2H,1H3;1H3,(H,3,4,5,6).
What are the key properties of benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole?
benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole has a molecular weight of 609.74 g/mol, XLogP of 6.12, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole is sourced from PubChem (CID 158555841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).