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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Related Compounds

Proxazole
CID 8590
4-(3-Benzhydryl-1,2,4-oxadiazol-5-yl)piperidine
CID 2761148
3-[3-[(4-Nonylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 168269823
3-[3-[2-(4-Octylphenyl)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 168288505
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 2037423
US11433053, Example 154
CID 146994117
US11433053, Example 139
CID 148518917
US11433053, Example 146
CID 148654551
US11433053, Example 105
CID 155265740
US11433053, Example 242
CID 155265906
US11433053, Example 231
CID 155265960
5-Tert-butyl-3-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 47053974

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).