1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C16H21N3O — CID 63079908

IUPAC1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C16H21N3O/c1-12(17)11-14-18-15(19-20-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,17H2,1H3
InChIKeyKZYDWRGVGPSLDT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.82
Rot. Bonds4

About 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63079908) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63079908
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C16H21N3O/c1-12(17)11-14-18-15(19-20-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,17H2,1H3
InChIKeyKZYDWRGVGPSLDT-UHFFFAOYSA-N
XLogP2.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63079908) is 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)Cc1nc(C2(c3ccccc3)CCCC2)no1.
What is the InChIKey of 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is KZYDWRGVGPSLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(17)11-14-18-15(19-20-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,17H2,1H3.
What are the key properties of 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63079908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).