5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one

C8H6N2O3 — CID 137002854

IUPAC5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one
SMILESO=c1nc(-c2ccc(O)cc2)o[nH]1
InChIInChI=1S/C8H6N2O3/c11-6-3-1-5(2-4-6)7-9-8(12)10-13-7/h1-4,11H,(H,10,12)
InChIKeyYRASYDFKXFWBPI-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.74
Rot. Bonds1

About 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one

5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one (PubChem CID 137002854) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one
PubChem CID137002854
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one
SMILESO=c1nc(-c2ccc(O)cc2)o[nH]1
InChIInChI=1S/C8H6N2O3/c11-6-3-1-5(2-4-6)7-9-8(12)10-13-7/h1-4,11H,(H,10,12)
InChIKeyYRASYDFKXFWBPI-UHFFFAOYSA-N
XLogP0.74
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one?
The IUPAC name of 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one (CID 137002854) is 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one is O=c1nc(-c2ccc(O)cc2)o[nH]1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one?
The InChIKey is YRASYDFKXFWBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-6-3-1-5(2-4-6)7-9-8(12)10-13-7/h1-4,11H,(H,10,12).
What are the key properties of 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one?
5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one has a molecular weight of 178.15 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one is sourced from PubChem (CID 137002854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).