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

C8H6N2O2 — CID 135760588

IUPAC4-(1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2ncon2)cc1
InChIInChI=1S/C8H6N2O2/c11-7-3-1-6(2-4-7)8-9-5-12-10-8/h1-5,11H
InChIKeyLXNCRCJDXBZXER-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.44
Rot. Bonds1

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

4-(1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135760588) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)phenol
PubChem CID135760588
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name4-(1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2ncon2)cc1
InChIInChI=1S/C8H6N2O2/c11-7-3-1-6(2-4-7)8-9-5-12-10-8/h1-5,11H
InChIKeyLXNCRCJDXBZXER-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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Related Compounds

4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenol
CID 4962397
Phenol, p-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-
CID 135755729
4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)phenol
CID 135658472
4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135750113
4-(5-Butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135912792
4-[5-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 139234288
3-(4-Methoxyphenyl)-1,2,4-oxadiazole
CID 15369611
3-(2-Methoxyphenyl)-1,2,4-oxadiazole
CID 21710595
3-(4-(Trifluoromethoxy)phenyl)-1,2,4-oxadiazole
CID 54772381
3-(4-(Difluoromethoxy)phenyl)-1,2,4-oxadiazole
CID 54772385
3-(4-(Trifluoromethoxy)phenyl)-1,2,4-oxadiazole formate salt
CID 86711505
3-[4-(2,2,2-Trifluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 91082341

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)phenol (CID 135760588) is 4-(1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)phenol is Oc1ccc(-c2ncon2)cc1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is LXNCRCJDXBZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-3-1-6(2-4-7)8-9-5-12-10-8/h1-5,11H.
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)phenol?
4-(1,2,4-oxadiazol-3-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 4-(1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135760588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).