3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol

C12H18N2O3 — CID 104612063

IUPAC3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
SMILESCOC1(c2noc(C3CC(O)C3)n2)CCCC1
InChIInChI=1S/C12H18N2O3/c1-16-12(4-2-3-5-12)11-13-10(17-14-11)8-6-9(15)7-8/h8-9,15H,2-7H2,1H3
InChIKeyAAJUFDMTMMMBTH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.72
Rot. Bonds3

About 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol

3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol (PubChem CID 104612063) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
PubChem CID104612063
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
SMILESCOC1(c2noc(C3CC(O)C3)n2)CCCC1
InChIInChI=1S/C12H18N2O3/c1-16-12(4-2-3-5-12)11-13-10(17-14-11)8-6-9(15)7-8/h8-9,15H,2-7H2,1H3
InChIKeyAAJUFDMTMMMBTH-UHFFFAOYSA-N
XLogP1.72
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol 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-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 116781727
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116743162
(3S,5S)-5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912581
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 114173552
(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912536
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552140
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
3-(1-methoxycyclohexyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467146
3-(1-methoxycyclopentyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104609747
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 104611970

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The IUPAC name of 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol (CID 104612063) is 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol is COC1(c2noc(C3CC(O)C3)n2)CCCC1.
What is the InChIKey of 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The InChIKey is AAJUFDMTMMMBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-12(4-2-3-5-12)11-13-10(17-14-11)8-6-9(15)7-8/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol has a molecular weight of 238.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 104612063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).