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

C11H11NO3 — CID 84722008

IUPAC3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one
SMILESCc1c(-c2ccc(O)cc2)n(C)oc1=O
InChIInChI=1S/C11H11NO3/c1-7-10(12(2)15-11(7)14)8-3-5-9(13)6-4-8/h3-6,13H,1-2H3
InChIKeyRNTQPJVGGQYICE-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.66
Rot. Bonds1

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

3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one (PubChem CID 84722008) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one
PubChem CID84722008
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one
SMILESCc1c(-c2ccc(O)cc2)n(C)oc1=O
InChIInChI=1S/C11H11NO3/c1-7-10(12(2)15-11(7)14)8-3-5-9(13)6-4-8/h3-6,13H,1-2H3
InChIKeyRNTQPJVGGQYICE-UHFFFAOYSA-N
XLogP1.66
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
CID 604974
3-(4-acetylphenyl)-2,4-dimethyl-1,2-oxazol-5-one
CID 84726388
3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one
CID 84719617
2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
4-methylphenol
CID 70549076
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 165451129
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
ethane;4-(4-methylphenyl)phenol
CID 161379556
2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one
CID 123619987
bis(4-methylphenol);tetrahydrochloride
CID 175346853

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one (CID 84722008) is 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one is Cc1c(-c2ccc(O)cc2)n(C)oc1=O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one?
The InChIKey is RNTQPJVGGQYICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-10(12(2)15-11(7)14)8-3-5-9(13)6-4-8/h3-6,13H,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one?
3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one has a molecular weight of 205.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one is sourced from PubChem (CID 84722008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).