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

C15H18ClN3O — CID 97336697

IUPACN-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine
SMILESClc1ccc([C@@H](NC2CCCCC2)c2ncon2)cc1
InChIInChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)14(15-17-10-20-19-15)18-13-4-2-1-3-5-13/h6-10,13-14,18H,1-5H2/t14-/m1/s1
InChIKeyCERNXHONECVQEG-CQSZACIVSA-N
MW291.78 g/mol
LogP3.73
Rot. Bonds4

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

N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine (PubChem CID 97336697) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine
PubChem CID97336697
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine
SMILESClc1ccc([C@@H](NC2CCCCC2)c2ncon2)cc1
InChIInChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)14(15-17-10-20-19-15)18-13-4-2-1-3-5-13/h6-10,13-14,18H,1-5H2/t14-/m1/s1
InChIKeyCERNXHONECVQEG-CQSZACIVSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclohexanamine
CID 957369
3-(4-Chlorophenyl)-1,2,4-oxadiazole
CID 2806669
3-(4-Chlorobenzyl)-N-cyclohexyl-1,2,4-oxadiazol-5-amine
CID 50905563
N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide
CID 75393290
N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide
CID 84594036
(4-Chlorophenyl)(1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 71757534
(3,4-Difluorophenyl)(1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 71757734
(4-Chlorophenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 71757932
(4-Chlorophenyl)(1,2,4-oxadiazol-3-yl)methanamine
CID 43559095
(4-Chlorophenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559229
N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 97248433
(3-Chloro-2-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 22075472

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine (CID 97336697) is N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine is Clc1ccc([C@@H](NC2CCCCC2)c2ncon2)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine?
The InChIKey is CERNXHONECVQEG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)14(15-17-10-20-19-15)18-13-4-2-1-3-5-13/h6-10,13-14,18H,1-5H2/t14-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine?
N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine has a molecular weight of 291.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 97336697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).