methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate

C12H11NO5 — CID 870102

IUPACmethyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1conc1-c1ccc(O)c(OC)c1
InChIInChI=1S/C12H11NO5/c1-16-10-5-7(3-4-9(10)14)11-8(6-18-13-11)12(15)17-2/h3-6,14H,1-2H3
InChIKeyFLXDVKKQIKNPPT-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.84
Rot. Bonds3

About methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate

methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate (PubChem CID 870102) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
PubChem CID870102
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Namemethyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1conc1-c1ccc(O)c(OC)c1
InChIInChI=1S/C12H11NO5/c1-16-10-5-7(3-4-9(10)14)11-8(6-18-13-11)12(15)17-2/h3-6,14H,1-2H3
InChIKeyFLXDVKKQIKNPPT-UHFFFAOYSA-N
XLogP1.84
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2,5-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870182
3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82390150
3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802087
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
CID 1309066
methyl 3-methyl-1,2-oxazole-4-carboxylate
CID 5249569
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
methyl 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 136690605
ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
CID 867446
(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
CID 59397478
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate (CID 870102) is methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate is COC(=O)c1conc1-c1ccc(O)c(OC)c1.
What is the InChIKey of methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is FLXDVKKQIKNPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-16-10-5-7(3-4-9(10)14)11-8(6-18-13-11)12(15)17-2/h3-6,14H,1-2H3.
What are the key properties of methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate?
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 249.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 870102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).