5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole

C15H18N2O — CID 889651

IUPAC5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C15H18N2O/c1-11-6-5-9-13(10-11)14-16-15(18-17-14)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyAGMJUJYILJWXOK-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.09
Rot. Bonds2

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

5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 889651) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID889651
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C15H18N2O/c1-11-6-5-9-13(10-11)14-16-15(18-17-14)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyAGMJUJYILJWXOK-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
Phenylmethyloxadiazole
CID 98806
Sodium perchlorate hydrate
CID 270750
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
5-[2-(1-Phenylcyclohexyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 56948777
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 1966104
5-Cyclohexyl-3-(p-tolyl)-1,2,4-oxadiazole
CID 867104
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
Cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4240363
(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
CID 16748676
1,1,1-Trifluoro-8-(3-phenyl-1,2,4-oxadiazole-5-yl)octane-2-one
CID 46188075

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 889651) is 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(C3CCCCC3)n2)c1.
What is the InChIKey of 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is AGMJUJYILJWXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-5-9-13(10-11)14-16-15(18-17-14)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 242.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 889651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).