2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide

C13H16N2O3 — CID 110649863

IUPAC2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1COC(=O)N1
InChIInChI=1S/C13H16N2O3/c1-8(2)9-5-3-4-6-10(9)14-12(16)11-7-18-13(17)15-11/h3-6,8,11H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQZLUBKJNPIAFHL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.86
Rot. Bonds3

About 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide

2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 110649863) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide
PubChem CID110649863
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1COC(=O)N1
InChIInChI=1S/C13H16N2O3/c1-8(2)9-5-3-4-6-10(9)14-12(16)11-7-18-13(17)15-11/h3-6,8,11H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQZLUBKJNPIAFHL-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide (CID 110649863) is 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide is CC(C)c1ccccc1NC(=O)C1COC(=O)N1.
What is the InChIKey of 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is QZLUBKJNPIAFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)9-5-3-4-6-10(9)14-12(16)11-7-18-13(17)15-11/h3-6,8,11H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide?
2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 110649863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).