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

C9H7ClN2O2 — CID 53420896

IUPAC[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-2-6(4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2
InChIKeyFTUJTACQXOHQHE-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.88
Rot. Bonds2

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

[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 53420896) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID53420896
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-2-6(4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2
InChIKeyFTUJTACQXOHQHE-UHFFFAOYSA-N
XLogP1.88
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol (CID 53420896) is [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is FTUJTACQXOHQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-3-1-2-6(4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2.
What are the key properties of [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 210.62 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 53420896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).