3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate

C12H10NO4- — CID 7446909

IUPAC3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccccc1-c1noc(C)c1C(=O)[O-]
InChIInChI=1S/C12H11NO4/c1-7-10(12(14)15)11(13-17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15)/p-1
InChIKeyKOQSJBSGCNLIJY-UHFFFAOYSA-M
MW232.22 g/mol
LogP1.02
Rot. Bonds3

About 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate

3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7446909) has the molecular formula C12H10NO4- and a molecular weight of 232.22 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7446909
Molecular FormulaC12H10NO4-
Molecular Weight232.22 g/mol
Exact Mass232.06
IUPAC Name3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccccc1-c1noc(C)c1C(=O)[O-]
InChIInChI=1S/C12H11NO4/c1-7-10(12(14)15)11(13-17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15)/p-1
InChIKeyKOQSJBSGCNLIJY-UHFFFAOYSA-M
XLogP1.02
TPSA75.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935
3-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
CID 82371391
3-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
CID 82371450
3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 46957473
3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 46969650
3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 82371650
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 66835598
3-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24818298
5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
CID 86037624
[4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol
CID 174708303
1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 67420541
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1070119

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 7446909) is 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate is COc1ccccc1-c1noc(C)c1C(=O)[O-].
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is KOQSJBSGCNLIJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO4/c1-7-10(12(14)15)11(13-17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15)/p-1.
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate?
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 232.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7446909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).