2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid

C16H22N2O4 — CID 135143683

IUPAC2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid
SMILESCCCCC1OCC(C(=O)O)(c2ccccc2)N1C(=O)NC
InChIInChI=1S/C16H22N2O4/c1-3-4-10-13-18(15(21)17-2)16(11-22-13,14(19)20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyGVGBILMXOWGVCE-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.15
Rot. Bonds5

About 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid

2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 135143683) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID135143683
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid
SMILESCCCCC1OCC(C(=O)O)(c2ccccc2)N1C(=O)NC
InChIInChI=1S/C16H22N2O4/c1-3-4-10-13-18(15(21)17-2)16(11-22-13,14(19)20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyGVGBILMXOWGVCE-UHFFFAOYSA-N
XLogP2.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid (CID 135143683) is 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid is CCCCC1OCC(C(=O)O)(c2ccccc2)N1C(=O)NC.
What is the InChIKey of 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is GVGBILMXOWGVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-4-10-13-18(15(21)17-2)16(11-22-13,14(19)20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid?
2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(methylcarbamoyl)-4-phenyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 135143683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).