2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole

C24H28N2O — CID 2859416

IUPAC2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole
SMILESCCCC1CCC(c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1
InChIInChI=1S/C24H28N2O/c1-3-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)23-25-26-24(27-23)22-8-5-4-7-17(22)2/h4-5,7-8,13-16,18-19H,3,6,9-12H2,1-2H3
InChIKeyYPQHKDMNGXFXAC-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.79
Rot. Bonds5

About 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole

2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole (PubChem CID 2859416) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole
PubChem CID2859416
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole
SMILESCCCC1CCC(c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1
InChIInChI=1S/C24H28N2O/c1-3-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)23-25-26-24(27-23)22-8-5-4-7-17(22)2/h4-5,7-8,13-16,18-19H,3,6,9-12H2,1-2H3
InChIKeyYPQHKDMNGXFXAC-UHFFFAOYSA-N
XLogP6.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 596995
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 84782
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
2,5-Di(1-naphthyl)-1,3,4-oxadiazole
CID 70182
2,5-Bis((1,1'-biphenyl)-4-yl)-1,3,4-oxadiazole
CID 96840
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
Mls002694980
CID 259799

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole (CID 2859416) is 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole is CCCC1CCC(c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1.
What is the InChIKey of 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is YPQHKDMNGXFXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-3-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)23-25-26-24(27-23)22-8-5-4-7-17(22)2/h4-5,7-8,13-16,18-19H,3,6,9-12H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole?
2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 360.50 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2859416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).