2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole

C11H12N2O — CID 53017476

IUPAC2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C11H12N2O/c1-7-4-5-10(6-8(7)2)11-13-12-9(3)14-11/h4-6H,1-3H3
InChIKeyDCEKIDQCOBJMGI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.66
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole

2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 53017476) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
PubChem CID53017476
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C11H12N2O/c1-7-4-5-10(6-8(7)2)11-13-12-9(3)14-11/h4-6H,1-3H3
InChIKeyDCEKIDQCOBJMGI-UHFFFAOYSA-N
XLogP2.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethylphenyl)-5-methyl-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-[(1R)-1-chloroethyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 86314511
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic acid
CID 69320185
2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515
2-(3-chloropropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 43513385
2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 170557742
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl chloride;oxalyl dichloride
CID 86597648
methane;2-methyl-5-(3-prop-1-ynylphenyl)-1,3,4-oxadiazole
CID 161302444
2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
CID 104523710
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 168650811

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole (CID 53017476) is 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(C)c(C)c2)o1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is DCEKIDQCOBJMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-5-10(6-8(7)2)11-13-12-9(3)14-11/h4-6H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole?
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 188.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 53017476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).