[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine

C15H18ClN3O — CID 61016877

IUPAC[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
SMILESNC(c1nc(-c2cccc(Cl)c2)no1)C1CCCCC1
InChIInChI=1S/C15H18ClN3O/c16-12-8-4-7-11(9-12)14-18-15(20-19-14)13(17)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6,17H2
InChIKeyJJGIMIBORPKDQV-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.97
Rot. Bonds3

About [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine

[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine (PubChem CID 61016877) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
PubChem CID61016877
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
SMILESNC(c1nc(-c2cccc(Cl)c2)no1)C1CCCCC1
InChIInChI=1S/C15H18ClN3O/c16-12-8-4-7-11(9-12)14-18-15(20-19-14)13(17)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6,17H2
InChIKeyJJGIMIBORPKDQV-UHFFFAOYSA-N
XLogP3.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61014151
[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 63092258
cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61015748
cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107502083
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61017069
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 54901636
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46128965
[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 82809079
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 43152100
cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 62696512
3-(3-chlorophenyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole
CID 6946164

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine?
The IUPAC name of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine (CID 61016877) is [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine.
What is the SMILES notation for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine?
The canonical SMILES for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine is NC(c1nc(-c2cccc(Cl)c2)no1)C1CCCCC1.
What is the InChIKey of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine?
The InChIKey is JJGIMIBORPKDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-8-4-7-11(9-12)14-18-15(20-19-14)13(17)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6,17H2.
What are the key properties of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine?
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine is sourced from PubChem (CID 61016877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).