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

C10H9ClN2O2 — CID 63757779

IUPAC[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(Cc2cccc(Cl)c2)no1
InChIInChI=1S/C10H9ClN2O2/c11-8-3-1-2-7(4-8)5-9-12-10(6-14)15-13-9/h1-4,14H,5-6H2
InChIKeyRGXYNANZBMESKJ-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.81
Rot. Bonds3

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

[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 63757779) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID63757779
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(Cc2cccc(Cl)c2)no1
InChIInChI=1S/C10H9ClN2O2/c11-8-3-1-2-7(4-8)5-9-12-10(6-14)15-13-9/h1-4,14H,5-6H2
InChIKeyRGXYNANZBMESKJ-UHFFFAOYSA-N
XLogP1.81
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 55200671
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 18523550
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63345855
1-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64670458
methyl 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474900
N-[[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62504123
ethyl 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474823
(2R)-2-amino-2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 104915640
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216700
[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63758819
[3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 60893719

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol (CID 63757779) is [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(Cc2cccc(Cl)c2)no1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is RGXYNANZBMESKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-8-3-1-2-7(4-8)5-9-12-10(6-14)15-13-9/h1-4,14H,5-6H2.
What are the key properties of [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 224.65 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 63757779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).