3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one

C9H7NO3 — CID 84717837

IUPAC3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccc(O)cc2)[nH]o1
InChIInChI=1S/C9H7NO3/c11-7-3-1-6(2-4-7)8-5-9(12)13-10-8/h1-5,10-11H
InChIKeyFSZHBYKWMKECDN-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.34
Rot. Bonds1

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

3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one (PubChem CID 84717837) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one
PubChem CID84717837
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccc(O)cc2)[nH]o1
InChIInChI=1S/C9H7NO3/c11-7-3-1-6(2-4-7)8-5-9(12)13-10-8/h1-5,10-11H
InChIKeyFSZHBYKWMKECDN-UHFFFAOYSA-N
XLogP1.34
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenyl)-2H-1,2-oxazol-5-one
CID 84655454
3-phenyl-2H-1,2-oxazol-5-one
CID 157064774
5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one
CID 137002854
3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one
CID 84719617
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
3-(4-hydroxyphenyl)furan-2,5-dione
CID 141054204
2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
CID 10658383
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-(1H-indol-2-yl)phenol
CID 11287260
8-fluoro-2-(4-hydroxyphenyl)-1H-quinolin-4-one
CID 66650720
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one
CID 10541755

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one (CID 84717837) is 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one is O=c1cc(-c2ccc(O)cc2)[nH]o1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one?
The InChIKey is FSZHBYKWMKECDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-7-3-1-6(2-4-7)8-5-9(12)13-10-8/h1-5,10-11H.
What are the key properties of 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one?
3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one has a molecular weight of 177.16 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 84717837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).