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

C11H11NO4 — CID 75359348

IUPAC3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one
SMILESCOc1ccc(-c2cc(=O)o[nH]2)c(OC)c1
InChIInChI=1S/C11H11NO4/c1-14-7-3-4-8(10(5-7)15-2)9-6-11(13)16-12-9/h3-6,12H,1-2H3
InChIKeyKDQCUYQCNMCODI-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.65
Rot. Bonds3

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

3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one (PubChem CID 75359348) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one
PubChem CID75359348
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one
SMILESCOc1ccc(-c2cc(=O)o[nH]2)c(OC)c1
InChIInChI=1S/C11H11NO4/c1-14-7-3-4-8(10(5-7)15-2)9-6-11(13)16-12-9/h3-6,12H,1-2H3
InChIKeyKDQCUYQCNMCODI-UHFFFAOYSA-N
XLogP1.65
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 53217944
2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
CID 82078942
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
CID 13011434
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 155525196
2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole
CID 118529838
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446214
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516713
5-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223742
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
3-(2,5-dimethoxyphenyl)-2H-oxadiazol-3-ium-5-one
CID 23656057

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one (CID 75359348) is 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one is COc1ccc(-c2cc(=O)o[nH]2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one?
The InChIKey is KDQCUYQCNMCODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-14-7-3-4-8(10(5-7)15-2)9-6-11(13)16-12-9/h3-6,12H,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one?
3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one has a molecular weight of 221.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 75359348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).