2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole

C22H26N2O — CID 158220440

IUPAC2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole
SMILESCc1cccc(C)c1Cc1nnc(CCc2ccccc2C(C)C)o1
InChIInChI=1S/C22H26N2O/c1-15(2)19-11-6-5-10-18(19)12-13-21-23-24-22(25-21)14-20-16(3)8-7-9-17(20)4/h5-11,15H,12-14H2,1-4H3
InChIKeyGDEGMLXJDHXHCG-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.19
Rot. Bonds6

About 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole

2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole (PubChem CID 158220440) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole
PubChem CID158220440
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole
SMILESCc1cccc(C)c1Cc1nnc(CCc2ccccc2C(C)C)o1
InChIInChI=1S/C22H26N2O/c1-15(2)19-11-6-5-10-18(19)12-13-21-23-24-22(25-21)14-20-16(3)8-7-9-17(20)4/h5-11,15H,12-14H2,1-4H3
InChIKeyGDEGMLXJDHXHCG-UHFFFAOYSA-N
XLogP5.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole (CID 158220440) is 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole is Cc1cccc(C)c1Cc1nnc(CCc2ccccc2C(C)C)o1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole?
The InChIKey is GDEGMLXJDHXHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-15(2)19-11-6-5-10-18(19)12-13-21-23-24-22(25-21)14-20-16(3)8-7-9-17(20)4/h5-11,15H,12-14H2,1-4H3.
What are the key properties of 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole?
2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole has a molecular weight of 334.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 158220440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).