3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C13H15ClN2O2 — CID 63345437

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(-c2ccc(Cl)cc2)no1)C(C)O
InChIInChI=1S/C13H15ClN2O2/c1-3-11(8(2)17)13-15-12(16-18-13)9-4-6-10(14)7-5-9/h4-8,11,17H,3H2,1-2H3
InChIKeyWPZPEFHVIXMRML-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.26
Rot. Bonds4

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 63345437) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID63345437
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(-c2ccc(Cl)cc2)no1)C(C)O
InChIInChI=1S/C13H15ClN2O2/c1-3-11(8(2)17)13-15-12(16-18-13)9-4-6-10(14)7-5-9/h4-8,11,17H,3H2,1-2H3
InChIKeyWPZPEFHVIXMRML-UHFFFAOYSA-N
XLogP3.26
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-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-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345490
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
(1S,2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 29047795
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CID 12569996
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63347248
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
3-(4-chlorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63773021
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65198120
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346032
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63346107
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 115531396

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 63345437) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCC(c1nc(-c2ccc(Cl)cc2)no1)C(C)O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is WPZPEFHVIXMRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-11(8(2)17)13-15-12(16-18-13)9-4-6-10(14)7-5-9/h4-8,11,17H,3H2,1-2H3.
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 266.73 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 63345437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).