5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole

C14H23N3O2 — CID 104609716

IUPAC5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(C3CCCCCN3)n2)CCCC1
InChIInChI=1S/C14H23N3O2/c1-18-14(8-4-5-9-14)13-16-12(19-17-13)11-7-3-2-6-10-15-11/h11,15H,2-10H2,1H3
InChIKeyLTGQQFACAIXIKI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.69
Rot. Bonds3

About 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole

5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole (PubChem CID 104609716) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
PubChem CID104609716
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(C3CCCCCN3)n2)CCCC1
InChIInChI=1S/C14H23N3O2/c1-18-14(8-4-5-9-14)13-16-12(19-17-13)11-7-3-2-6-10-15-11/h11,15H,2-10H2,1H3
InChIKeyLTGQQFACAIXIKI-UHFFFAOYSA-N
XLogP2.69
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(1-ethoxycycloheptyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915192
3-(1-ethoxycyclohexyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915174
3-(1-ethoxycyclopentyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116741549
3-(1-ethoxycycloheptyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900902
3-(1-ethoxy-4-methylcyclohexyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116742659
(3S,5S)-5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912581
3-(1-methoxycyclohexyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467146
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116701466
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912536
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 104611970

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole (CID 104609716) is 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole is COC1(c2noc(C3CCCCCN3)n2)CCCC1.
What is the InChIKey of 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole?
The InChIKey is LTGQQFACAIXIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-18-14(8-4-5-9-14)13-16-12(19-17-13)11-7-3-2-6-10-15-11/h11,15H,2-10H2,1H3.
What are the key properties of 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole?
5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104609716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).