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

C15H18ClN3O — CID 957369

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
SMILESClc1ccc(-c2noc(CNC3CCCCC3)n2)cc1
InChIInChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)15-18-14(20-19-15)10-17-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10H2
InChIKeyJWDQLCCXEICILF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.81
Rot. Bonds4

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine (PubChem CID 957369) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
PubChem CID957369
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
SMILESClc1ccc(-c2noc(CNC3CCCCC3)n2)cc1
InChIInChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)15-18-14(20-19-15)10-17-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10H2
InChIKeyJWDQLCCXEICILF-UHFFFAOYSA-N
XLogP3.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 327070
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-isopropyl-2,2-diphenylacetamide
CID 2215563
4-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
CID 329188
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperidine
CID 2803673
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 16190751
N-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine
CID 16190958
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-5-one
CID 16191331
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
CID 1250477
3-(4-Chlorophenyl)-5-(1-pyrrolidinylmethyl)-1,2,4-oxadiazole
CID 727946
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
CID 4894507
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide
CID 2234500
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methylbenzamide
CID 2985628

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine (CID 957369) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine is Clc1ccc(-c2noc(CNC3CCCCC3)n2)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine?
The InChIKey is JWDQLCCXEICILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)15-18-14(20-19-15)10-17-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10H2.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine has a molecular weight of 291.78 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine is sourced from PubChem (CID 957369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).