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

C9H8N2O2 — CID 12569958

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H8N2O2/c12-6-8-10-9(11-13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyNOIRXFZFSPXHIM-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.23
Rot. Bonds2

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

(3-phenyl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 12569958) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID12569958
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H8N2O2/c12-6-8-10-9(11-13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyNOIRXFZFSPXHIM-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-phenyl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methanol (CID 12569958) is (3-phenyl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methanol is OCc1nc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is NOIRXFZFSPXHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-6-8-10-9(11-13-8)7-4-2-1-3-5-7/h1-5,12H,6H2.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methanol?
(3-phenyl-1,2,4-oxadiazol-5-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 (3-phenyl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 12569958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).