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

C9H8N2O2 — CID 2726650

IUPAC(5-phenyl-1,2,4-oxadiazol-3-yl)methanol
SMILESOCc1noc(-c2ccccc2)n1
InChIInChI=1S/C9H8N2O2/c12-6-8-10-9(13-11-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyBOEQMFXGWDOSMJ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.23
Rot. Bonds2

About (5-phenyl-1,2,4-oxadiazol-3-yl)methanol

(5-phenyl-1,2,4-oxadiazol-3-yl)methanol (PubChem CID 2726650) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is (5-phenyl-1,2,4-oxadiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-phenyl-1,2,4-oxadiazol-3-yl)methanol
PubChem CID2726650
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name(5-phenyl-1,2,4-oxadiazol-3-yl)methanol
SMILESOCc1noc(-c2ccccc2)n1
InChIInChI=1S/C9H8N2O2/c12-6-8-10-9(13-11-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyBOEQMFXGWDOSMJ-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 (5-phenyl-1,2,4-oxadiazol-3-yl)methanol?
The IUPAC name of (5-phenyl-1,2,4-oxadiazol-3-yl)methanol (CID 2726650) is (5-phenyl-1,2,4-oxadiazol-3-yl)methanol.
What is the SMILES notation for (5-phenyl-1,2,4-oxadiazol-3-yl)methanol?
The canonical SMILES for (5-phenyl-1,2,4-oxadiazol-3-yl)methanol is OCc1noc(-c2ccccc2)n1.
What is the InChIKey of (5-phenyl-1,2,4-oxadiazol-3-yl)methanol?
The InChIKey is BOEQMFXGWDOSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-6-8-10-9(13-11-8)7-4-2-1-3-5-7/h1-5,12H,6H2.
What are the key properties of (5-phenyl-1,2,4-oxadiazol-3-yl)methanol?
(5-phenyl-1,2,4-oxadiazol-3-yl)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 (5-phenyl-1,2,4-oxadiazol-3-yl)methanol is sourced from PubChem (CID 2726650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).