[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C17H23N3O2 — CID 120892639

IUPAC[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCCC(OC1CCCC1)c1nc(-c2ccc(CN)cc2)no1
InChIInChI=1S/C17H23N3O2/c1-2-15(21-14-5-3-4-6-14)17-19-16(20-22-17)13-9-7-12(11-18)8-10-13/h7-10,14-15H,2-6,11,18H2,1H3
InChIKeyPTECXHSKPSOOGF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.61
Rot. Bonds6

About [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 120892639) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID120892639
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCCC(OC1CCCC1)c1nc(-c2ccc(CN)cc2)no1
InChIInChI=1S/C17H23N3O2/c1-2-15(21-14-5-3-4-6-14)17-19-16(20-22-17)13-9-7-12(11-18)8-10-13/h7-10,14-15H,2-6,11,18H2,1H3
InChIKeyPTECXHSKPSOOGF-UHFFFAOYSA-N
XLogP3.61
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 120892639) is [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is CCC(OC1CCCC1)c1nc(-c2ccc(CN)cc2)no1.
What is the InChIKey of [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is PTECXHSKPSOOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-15(21-14-5-3-4-6-14)17-19-16(20-22-17)13-9-7-12(11-18)8-10-13/h7-10,14-15H,2-6,11,18H2,1H3.
What are the key properties of [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 301.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 120892639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).