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

C9H8N2O2 — CID 3041361

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESOCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H8N2O2/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyPZJYBNBHJONRLK-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.23
Rot. Bonds2

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (PubChem CID 3041361) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
PubChem CID3041361
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESOCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H8N2O2/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyPZJYBNBHJONRLK-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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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
1,3,4-Oxadiazole, 2-phenyl-
CID 13217
Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 651752
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
Ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate
CID 2727400
Methyl phenyl-1,3,4-oxadiazole
CID 138101
5-Phenyl-1,3,4-oxadiazole-2-propionic acid
CID 7130633
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(hydroxymethyl)benzoate
CID 2403875
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl benzoate
CID 5178828
1-(5-Phenyl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
CID 44389963
5-(4-Phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 118726286
Butyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 589249

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methanol (CID 3041361) is (5-phenyl-1,3,4-oxadiazol-2-yl)methanol.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methanol is OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The InChIKey is PZJYBNBHJONRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-5,12H,6H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
(5-phenyl-1,3,4-oxadiazol-2-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-1,3,4-oxadiazol-2-yl)methanol is sourced from PubChem (CID 3041361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).