2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine

C17H23N3O — CID 63348266

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O/c1-2-12-18-15-11-7-6-10-14(15)17-19-16(20-21-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3
InChIKeyHDEOLWAPSRRALP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.76
Rot. Bonds5

About 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine

2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine (PubChem CID 63348266) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
PubChem CID63348266
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O/c1-2-12-18-15-11-7-6-10-14(15)17-19-16(20-21-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3
InChIKeyHDEOLWAPSRRALP-UHFFFAOYSA-N
XLogP3.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cycloheptan-1-amine
CID 63347847
N-propyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 137001669
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63352575
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylcycloheptan-1-amine
CID 63348236
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine
CID 116809428
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66251331
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83191954
N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 55201646
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63347506
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66254034

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine (CID 63348266) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine?
The InChIKey is HDEOLWAPSRRALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-12-18-15-11-7-6-10-14(15)17-19-16(20-21-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3.
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63348266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).