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

C16H27N3O — CID 63349479

IUPAC2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1nc(C2CCCC2)no1
InChIInChI=1S/C16H27N3O/c1-2-11-17-14-10-6-5-9-13(14)16-18-15(19-20-16)12-7-3-4-8-12/h12-14,17H,2-11H2,1H3
InChIKeyZYJLJRQACMIEHM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.75
Rot. Bonds5

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

2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine (PubChem CID 63349479) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
PubChem CID63349479
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1nc(C2CCCC2)no1
InChIInChI=1S/C16H27N3O/c1-2-11-17-14-10-6-5-9-13(14)16-18-15(19-20-16)12-7-3-4-8-12/h12-14,17H,2-11H2,1H3
InChIKeyZYJLJRQACMIEHM-UHFFFAOYSA-N
XLogP3.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylthiolan-3-amine
CID 83201545
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylcycloheptan-1-amine
CID 63348236
N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine
CID 116809428
N-ethyl-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65415278
N-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350797
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80637975
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733253
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733139
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65334735
N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474605

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine (CID 63349479) is 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1c1nc(C2CCCC2)no1.
What is the InChIKey of 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine?
The InChIKey is ZYJLJRQACMIEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-11-17-14-10-6-5-9-13(14)16-18-15(19-20-16)12-7-3-4-8-12/h12-14,17H,2-11H2,1H3.
What are the key properties of 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine?
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63349479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).