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

C10H9NO3 — CID 84719617

IUPAC3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one
SMILESCc1c(-c2ccc(O)cc2)[nH]oc1=O
InChIInChI=1S/C10H9NO3/c1-6-9(11-14-10(6)13)7-2-4-8(12)5-3-7/h2-5,11-12H,1H3
InChIKeyRSGBQFGBALJYDT-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.65
Rot. Bonds1

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

3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one (PubChem CID 84719617) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one
PubChem CID84719617
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one
SMILESCc1c(-c2ccc(O)cc2)[nH]oc1=O
InChIInChI=1S/C10H9NO3/c1-6-9(11-14-10(6)13)7-2-4-8(12)5-3-7/h2-5,11-12H,1H3
InChIKeyRSGBQFGBALJYDT-UHFFFAOYSA-N
XLogP1.65
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-2H-1,2-oxazol-5-one
CID 172877013
3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one
CID 84722008
3-(4-hydroxyphenyl)-2H-1,2-oxazol-5-one
CID 84717837
5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-one
CID 137002854
4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 13199481
5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one
CID 105444699
azane;aziridin-2-one;4-methylphenol
CID 88801841
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-methylphenol
CID 70549076
4-ethyl-5-(4-hydroxyphenyl)-1,3-dihydroimidazol-2-one
CID 105456047
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one (CID 84719617) is 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one is Cc1c(-c2ccc(O)cc2)[nH]oc1=O.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one?
The InChIKey is RSGBQFGBALJYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-9(11-14-10(6)13)7-2-4-8(12)5-3-7/h2-5,11-12H,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one?
3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one has a molecular weight of 191.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 84719617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).