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

C14H10N2O2 — CID 779192

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H10N2O2/c17-12-9-5-4-8-11(12)14-15-13(16-18-14)10-6-2-1-3-7-10/h1-9,17H
InChIKeyVNCIJMRFIRKERM-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.11
Rot. Bonds2

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

2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 779192) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID779192
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H10N2O2/c17-12-9-5-4-8-11(12)14-15-13(16-18-14)10-6-2-1-3-7-10/h1-9,17H
InChIKeyVNCIJMRFIRKERM-UHFFFAOYSA-N
XLogP3.11
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol (CID 779192) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol is Oc1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is VNCIJMRFIRKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-12-9-5-4-8-11(12)14-15-13(16-18-14)10-6-2-1-3-7-10/h1-9,17H.
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 238.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 779192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).