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

C9H7ClN2O3 — CID 12569996

IUPAC[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
SMILESOC(O)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C9H7ClN2O3/c10-6-3-1-5(2-4-6)7-11-8(9(13)14)15-12-7/h1-4,9,13-14H
InChIKeyGAJIFZDYEPVGKC-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.37
Rot. Bonds2

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

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol (PubChem CID 12569996) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
PubChem CID12569996
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
SMILESOC(O)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C9H7ClN2O3/c10-6-3-1-5(2-4-6)7-11-8(9(13)14)15-12-7/h1-4,9,13-14H
InChIKeyGAJIFZDYEPVGKC-UHFFFAOYSA-N
XLogP1.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61014151
3-(4-chlorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63773021
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-methyl-1,2,4-oxadiazole
CID 684002
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057298
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523542

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol?
The IUPAC name of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol (CID 12569996) is [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol?
The canonical SMILES for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol is OC(O)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol?
The InChIKey is GAJIFZDYEPVGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c10-6-3-1-5(2-4-6)7-11-8(9(13)14)15-12-7/h1-4,9,13-14H.
What are the key properties of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol?
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol has a molecular weight of 226.62 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol is sourced from PubChem (CID 12569996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).