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

C10H9ClN2O2 — CID 63345393

IUPAC1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H9ClN2O2/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-6,14H,1H3
InChIKeyQXJNJHVXCHNKPV-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.44
Rot. Bonds2

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

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63345393) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63345393
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H9ClN2O2/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-6,14H,1H3
InChIKeyQXJNJHVXCHNKPV-UHFFFAOYSA-N
XLogP2.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CID 12569996
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
4-[5-(1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889543
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106850000
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63347248
(1S,2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 29047795
3-(4-chlorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63773021
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63345393) is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QXJNJHVXCHNKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-6,14H,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 224.65 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63345393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).