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

C12H13ClN2O2 — CID 79191177

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESOCCCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H13ClN2O2/c13-10-6-4-9(5-7-10)12-14-11(17-15-12)3-1-2-8-16/h4-7,16H,1-3,8H2
InChIKeyCKVNUFDDEWVTEO-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.70
Rot. Bonds5

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 79191177) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID79191177
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESOCCCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H13ClN2O2/c13-10-6-4-9(5-7-10)12-14-11(17-15-12)3-1-2-8-16/h4-7,16H,1-3,8H2
InChIKeyCKVNUFDDEWVTEO-UHFFFAOYSA-N
XLogP2.70
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192298
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106523544
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]guanidine
CID 111111928
sodium 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 162665177
3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 166074778
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
CID 154393200
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 79191177) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is OCCCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is CKVNUFDDEWVTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-10-6-4-9(5-7-10)12-14-11(17-15-12)3-1-2-8-16/h4-7,16H,1-3,8H2.
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 252.70 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 79191177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).