N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

C13H15ClN2O3 — CID 110649460

IUPACN-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN1C(=O)OCC1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c1-16-11(8-19-13(16)18)12(17)15-6-5-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,15,17)
InChIKeyXBSQHZKEESRTOF-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.45
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 110649460) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID110649460
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN1C(=O)OCC1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c1-16-11(8-19-13(16)18)12(17)15-6-5-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,15,17)
InChIKeyXBSQHZKEESRTOF-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851820
(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
CID 97099885
N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228820
(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 98538449
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 66237478
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-chlorophenyl)ethyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185316
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 110649460) is N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is CN1C(=O)OCC1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is XBSQHZKEESRTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-16-11(8-19-13(16)18)12(17)15-6-5-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,15,17).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 110649460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).