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

C8H6N2O2 — CID 4300762

IUPAC3-(1,3,4-oxadiazol-2-yl)phenol
SMILESOc1cccc(-c2nnco2)c1
InChIInChI=1S/C8H6N2O2/c11-7-3-1-2-6(4-7)8-10-9-5-12-8/h1-5,11H
InChIKeyCSMNFUDFDBVTHP-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.44
Rot. Bonds1

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

3-(1,3,4-oxadiazol-2-yl)phenol (PubChem CID 4300762) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)phenol
PubChem CID4300762
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name3-(1,3,4-oxadiazol-2-yl)phenol
SMILESOc1cccc(-c2nnco2)c1
InChIInChI=1S/C8H6N2O2/c11-7-3-1-2-6(4-7)8-10-9-5-12-8/h1-5,11H
InChIKeyCSMNFUDFDBVTHP-UHFFFAOYSA-N
XLogP1.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)phenol (CID 4300762) is 3-(1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)phenol is Oc1cccc(-c2nnco2)c1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is CSMNFUDFDBVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-3-1-2-6(4-7)8-10-9-5-12-8/h1-5,11H.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)phenol?
3-(1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 162.15 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 4300762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).