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

C9H8N2O2 — CID 134817586

IUPAC[3-(1,2,4-oxadiazol-3-yl)phenyl]methanol
SMILESOCc1cccc(-c2ncon2)c1
InChIInChI=1S/C9H8N2O2/c12-5-7-2-1-3-8(4-7)9-10-6-13-11-9/h1-4,6,12H,5H2
InChIKeyLMHTXPUCNPOZSU-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.23
Rot. Bonds2

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

[3-(1,2,4-oxadiazol-3-yl)phenyl]methanol (PubChem CID 134817586) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(1,2,4-oxadiazol-3-yl)phenyl]methanol
PubChem CID134817586
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name[3-(1,2,4-oxadiazol-3-yl)phenyl]methanol
SMILESOCc1cccc(-c2ncon2)c1
InChIInChI=1S/C9H8N2O2/c12-5-7-2-1-3-8(4-7)9-10-6-13-11-9/h1-4,6,12H,5H2
InChIKeyLMHTXPUCNPOZSU-UHFFFAOYSA-N
XLogP1.23
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol?
The IUPAC name of [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol (CID 134817586) is [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol.
What is the SMILES notation for [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol?
The canonical SMILES for [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol is OCc1cccc(-c2ncon2)c1.
What is the InChIKey of [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol?
The InChIKey is LMHTXPUCNPOZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-5-7-2-1-3-8(4-7)9-10-6-13-11-9/h1-4,6,12H,5H2.
What are the key properties of [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol?
[3-(1,2,4-oxadiazol-3-yl)phenyl]methanol has a molecular weight of 176.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,4-oxadiazol-3-yl)phenyl]methanol is sourced from PubChem (CID 134817586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).