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

C9H7ClN2O2 — CID 2763407

IUPAC[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)14-12-9/h1-4,13H,5H2
InChIKeySNHGRCYDLKXNSH-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.88
Rot. Bonds2

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

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 2763407) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID2763407
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)14-12-9/h1-4,13H,5H2
InChIKeySNHGRCYDLKXNSH-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 [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol (CID 2763407) is [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is SNHGRCYDLKXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)14-12-9/h1-4,13H,5H2.
What are the key properties of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-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 [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 2763407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).