1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine

C16H29N3O2 — CID 104634266

IUPAC1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
SMILESCCCOCC(N)c1noc(C2(CC(C)C)CCCC2)n1
InChIInChI=1S/C16H29N3O2/c1-4-9-20-11-13(17)14-18-15(21-19-14)16(10-12(2)3)7-5-6-8-16/h12-13H,4-11,17H2,1-3H3
InChIKeyHECYZQMLPITNAC-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.35
Rot. Bonds8

About 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine

1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine (PubChem CID 104634266) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine.

Molecular Properties

Compound Name1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
PubChem CID104634266
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
SMILESCCCOCC(N)c1noc(C2(CC(C)C)CCCC2)n1
InChIInChI=1S/C16H29N3O2/c1-4-9-20-11-13(17)14-18-15(21-19-14)16(10-12(2)3)7-5-6-8-16/h12-13H,4-11,17H2,1-3H3
InChIKeyHECYZQMLPITNAC-UHFFFAOYSA-N
XLogP3.35
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634646
2-propoxy-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634345
1-[5-[1-(2-methylpropyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855618
1-[5-(3-methoxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634267
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634440
1-[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634466
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634387
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 107974498
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 114212437
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634360
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
CID 104634245

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The IUPAC name of 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine (CID 104634266) is 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine.
What is the SMILES notation for 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The canonical SMILES for 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine is CCCOCC(N)c1noc(C2(CC(C)C)CCCC2)n1.
What is the InChIKey of 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The InChIKey is HECYZQMLPITNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-9-20-11-13(17)14-18-15(21-19-14)16(10-12(2)3)7-5-6-8-16/h12-13H,4-11,17H2,1-3H3.
What are the key properties of 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine has a molecular weight of 295.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine is sourced from PubChem (CID 104634266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).