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

C12H13NO5 — CID 115064566

IUPAC3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCOc1cccc(N2C(=O)OCC2(C)C(=O)O)c1
InChIInChI=1S/C12H13NO5/c1-12(10(14)15)7-18-11(16)13(12)8-4-3-5-9(6-8)17-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyRXYJTWUXODUXPO-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.50
Rot. Bonds3

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

3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 115064566) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID115064566
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCOc1cccc(N2C(=O)OCC2(C)C(=O)O)c1
InChIInChI=1S/C12H13NO5/c1-12(10(14)15)7-18-11(16)13(12)8-4-3-5-9(6-8)17-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyRXYJTWUXODUXPO-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

3-(3-methoxyphenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064312
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 25030125
2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid
CID 70356669
1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 134805375
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
1-(3-methoxyphenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid
CID 81258397
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
(2S)-N-cyclopentyl-1-(3-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92742270
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
3-(3-methoxyphenyl)morpholine-3-carboxylic acid
CID 105498805

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 115064566) is 3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is COc1cccc(N2C(=O)OCC2(C)C(=O)O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is RXYJTWUXODUXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-12(10(14)15)7-18-11(16)13(12)8-4-3-5-9(6-8)17-2/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-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-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 115064566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).