2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride

C17H24ClN3O — CID 119948094

IUPAC2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
SMILESCC(c1nc(C2CCCCC2)no1)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-12(15(18)13-8-4-2-5-9-13)17-19-16(20-21-17)14-10-6-3-7-11-14;/h2,4-5,8-9,12,14-15H,3,6-7,10-11,18H2,1H3;1H
InChIKeyQKQIZGFVYPRNMX-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.34
Rot. Bonds4

About 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride

2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride (PubChem CID 119948094) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
PubChem CID119948094
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
SMILESCC(c1nc(C2CCCCC2)no1)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-12(15(18)13-8-4-2-5-9-13)17-19-16(20-21-17)14-10-6-3-7-11-14;/h2,4-5,8-9,12,14-15H,3,6-7,10-11,18H2,1H3;1H
InChIKeyQKQIZGFVYPRNMX-UHFFFAOYSA-N
XLogP4.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898627
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500634
5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole
CID 116682608
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
(R)-(2-chlorophenyl)-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methanamine
CID 107315453
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285024

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride?
The IUPAC name of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride (CID 119948094) is 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride is CC(c1nc(C2CCCCC2)no1)C(N)c1ccccc1.Cl.
What is the InChIKey of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride?
The InChIKey is QKQIZGFVYPRNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.ClH/c1-12(15(18)13-8-4-2-5-9-13)17-19-16(20-21-17)14-10-6-3-7-11-14;/h2,4-5,8-9,12,14-15H,3,6-7,10-11,18H2,1H3;1H.
What are the key properties of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride?
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 119948094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).