N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine

C22H31N3O — CID 2951433

IUPACN-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
SMILESCc1ccc(-c2noc(CN(C3CCCCC3)C3CCCCC3)n2)cc1
InChIInChI=1S/C22H31N3O/c1-17-12-14-18(15-13-17)22-23-21(26-24-22)16-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-15,19-20H,2-11,16H2,1H3
InChIKeyHBNIIVNSXJKDNU-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.51
Rot. Bonds5

About N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine

N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine (PubChem CID 2951433) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
PubChem CID2951433
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
SMILESCc1ccc(-c2noc(CN(C3CCCCC3)C3CCCCC3)n2)cc1
InChIInChI=1S/C22H31N3O/c1-17-12-14-18(15-13-17)22-23-21(26-24-22)16-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-15,19-20H,2-11,16H2,1H3
InChIKeyHBNIIVNSXJKDNU-UHFFFAOYSA-N
XLogP5.51
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzamide
CID 8836075
4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835715
4-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 25219232
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131
2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 109397716
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-3,5-dimethylbenzamide
CID 8875279
N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine
CID 170864938
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 11859836
5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylbenzamide
CID 6494950

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine?
The IUPAC name of N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine (CID 2951433) is N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine is Cc1ccc(-c2noc(CN(C3CCCCC3)C3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine?
The InChIKey is HBNIIVNSXJKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17-12-14-18(15-13-17)22-23-21(26-24-22)16-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-15,19-20H,2-11,16H2,1H3.
What are the key properties of N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine?
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine has a molecular weight of 353.51 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine is sourced from PubChem (CID 2951433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).