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

C12H13NO4 — CID 83850732

IUPAC4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCc1ccc(N2C(=O)OC(C(=O)O)C2C)cc1
InChIInChI=1S/C12H13NO4/c1-7-3-5-9(6-4-7)13-8(2)10(11(14)15)17-12(13)16/h3-6,8,10H,1-2H3,(H,14,15)
InChIKeyXTQSGRKABWHNPE-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.79
Rot. Bonds2

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

4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 83850732) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID83850732
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCc1ccc(N2C(=O)OC(C(=O)O)C2C)cc1
InChIInChI=1S/C12H13NO4/c1-7-3-5-9(6-4-7)13-8(2)10(11(14)15)17-12(13)16/h3-6,8,10H,1-2H3,(H,14,15)
InChIKeyXTQSGRKABWHNPE-UHFFFAOYSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 83846944
5-hydroxy-4-methyl-3-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one
CID 142659781
(3aR,6aR)-3-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-one
CID 100825839
(2S,3S)-2-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 10400920
(5S)-5-methyl-1-(4-methylphenyl)imidazolidin-2-one
CID 170628875
2-methyl-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920545
3-(4-methylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83850738
(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 129249020
3-(4-methylphenyl)oxirane-2-carboxylic acid
CID 15225103
3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one
CID 174286957
(5S)-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 2376088
5-methoxy-4-methyl-3-(4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 174277904

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 83850732) is 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid is Cc1ccc(N2C(=O)OC(C(=O)O)C2C)cc1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is XTQSGRKABWHNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7-3-5-9(6-4-7)13-8(2)10(11(14)15)17-12(13)16/h3-6,8,10H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid?
4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 83850732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).