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

C11H11ClN2O2 — CID 79200268

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2
InChIKeyBTURSBZSHDJVMU-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.31
Rot. Bonds4

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

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79200268) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79200268
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2
InChIKeyBTURSBZSHDJVMU-UHFFFAOYSA-N
XLogP2.31
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 731146
3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propionic acid
CID 665968
3-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 667176
4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoic acid
CID 5308463
3-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 666122
5-(Chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 2735758
3-(4-Chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
CID 752282
4-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2033173
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic Acid
CID 1472625
5-(Bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
3-(4-Chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79200268) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is OCCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is BTURSBZSHDJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2.
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 238.67 g/mol, XLogP of 2.31, 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]propan-1-ol is sourced from PubChem (CID 79200268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).