3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

C12H13NO5 — CID 115065280

IUPAC3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(N2CC(C)(C(=O)O)OC2=O)cc1
InChIInChI=1S/C12H13NO5/c1-12(10(14)15)7-13(11(16)18-12)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyCWKDBIDWGWBDIP-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.50
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 115065280) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID115065280
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(N2CC(C)(C(=O)O)OC2=O)cc1
InChIInChI=1S/C12H13NO5/c1-12(10(14)15)7-13(11(16)18-12)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyCWKDBIDWGWBDIP-UHFFFAOYSA-N
XLogP1.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride
CID 54015630
3-(4-methoxyphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010286
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
(3R,4S)-4-hydroxy-1-(4-methoxyphenyl)-3,4-dimethylpyrrolidin-2-one
CID 101405678
(5S)-7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 124979077
7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110149486
(5R)-7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 124979078
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364682
[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
CID 130404562

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 115065280) is 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is COc1ccc(N2CC(C)(C(=O)O)OC2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is CWKDBIDWGWBDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-12(10(14)15)7-13(11(16)18-12)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 115065280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).