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

C12H13ClN2O2 — CID 113443207

IUPAC1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN2O2/c1-2-3-10(16)11-14-12(17-15-11)8-4-6-9(13)7-5-8/h4-7,10,16H,2-3H2,1H3
InChIKeyJCRVDTROXBYTCV-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.22
Rot. Bonds4

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

1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 113443207) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID113443207
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN2O2/c1-2-3-10(16)11-14-12(17-15-11)8-4-6-9(13)7-5-8/h4-7,10,16H,2-3H2,1H3
InChIKeyJCRVDTROXBYTCV-UHFFFAOYSA-N
XLogP3.22
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-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

1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 103096497
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 104704277
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
1-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096579
1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096543
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096517
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096524
1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096494
1-[5-(5-bromo-2-iodophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 104704260
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096401

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 113443207) is 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is JCRVDTROXBYTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-3-10(16)11-14-12(17-15-11)8-4-6-9(13)7-5-8/h4-7,10,16H,2-3H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 252.70 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 113443207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).