(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide

C13H16N2O3 — CID 50851820

IUPAC(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
SMILESCN1C(=O)OC[C@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-15-11(9-18-13(15)17)12(16)14-8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyCWTXNRKNWVWKKQ-NSHDSACASA-N
MW248.28 g/mol
LogP0.80
Rot. Bonds4

About (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide

(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851820) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851820
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
SMILESCN1C(=O)OC[C@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-15-11(9-18-13(15)17)12(16)14-8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyCWTXNRKNWVWKKQ-NSHDSACASA-N
XLogP0.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110649460
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
(2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 66995375
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(4R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 68600659
(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851673
N-ethyl-3-methyl-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
CID 110649835
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
CID 97457442

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide (CID 50851820) is (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide is CN1C(=O)OC[C@H]1C(=O)NCCc1ccccc1.
What is the InChIKey of (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is CWTXNRKNWVWKKQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-11(9-18-13(15)17)12(16)14-8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).