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

C12H14N2O3 — CID 50851402

IUPAC(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCNC(=O)[C@@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N2O3/c1-13-11(15)10-8-17-12(16)14(10)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyLOIWWFSURJCHIS-JTQLQIEISA-N
MW234.25 g/mol
LogP0.75
Rot. Bonds3

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

(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851402) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851402
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCNC(=O)[C@@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N2O3/c1-13-11(15)10-8-17-12(16)14(10)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyLOIWWFSURJCHIS-JTQLQIEISA-N
XLogP0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4S)-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid
CID 50851565
3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115060250
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
4-[[(4S)-2-oxo-4-(pyridin-2-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851250
(4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851577
methyl 4-[[(4S)-4-[(3-methoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851178
3-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82480494
4-[[(4S)-4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851613
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851402) is (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is CNC(=O)[C@@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is LOIWWFSURJCHIS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-11(15)10-8-17-12(16)14(10)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).