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

C14H10N2O2 — CID 135878213

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C14H10N2O2/c17-12-8-6-11(7-9-12)14-15-13(16-18-14)10-4-2-1-3-5-10/h1-9,17H
InChIKeyCBRHFQAIXBFVIF-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.11
Rot. Bonds2

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

4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 135878213) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID135878213
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C14H10N2O2/c17-12-8-6-11(7-9-12)14-15-13(16-18-14)10-4-2-1-3-5-10/h1-9,17H
InChIKeyCBRHFQAIXBFVIF-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 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol (CID 135878213) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol is Oc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is CBRHFQAIXBFVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-12-8-6-11(7-9-12)14-15-13(16-18-14)10-4-2-1-3-5-10/h1-9,17H.
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
4-(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 4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 135878213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).