2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole

C22H24N2O — CID 59079242

IUPAC2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C3(C)CCC(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C22H24N2O/c1-16-8-10-19(11-9-16)20-23-24-21(25-20)22(2)14-12-18(13-15-22)17-6-4-3-5-7-17/h3-11,18H,12-15H2,1-2H3
InChIKeyGNPOATAVLDHTBI-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.66
Rot. Bonds3

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

2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole (PubChem CID 59079242) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole
PubChem CID59079242
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C3(C)CCC(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C22H24N2O/c1-16-8-10-19(11-9-16)20-23-24-21(25-20)22(2)14-12-18(13-15-22)17-6-4-3-5-7-17/h3-11,18H,12-15H2,1-2H3
InChIKeyGNPOATAVLDHTBI-UHFFFAOYSA-N
XLogP5.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole (CID 59079242) is 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C3(C)CCC(c4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole?
The InChIKey is GNPOATAVLDHTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-8-10-19(11-9-16)20-23-24-21(25-20)22(2)14-12-18(13-15-22)17-6-4-3-5-7-17/h3-11,18H,12-15H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole has a molecular weight of 332.45 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59079242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).