2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate

C12H12NO4- — CID 57373164

IUPAC2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate
SMILESCC(C(=O)[O-])[C@H]1NC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C12H13NO4/c1-7(11(14)15)9-10(17-12(16)13-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,16)(H,14,15)/p-1/t7?,9-,10+/m1/s1
InChIKeyOXUZLOWKUBKCJZ-MKSVKPQVSA-M
MW234.23 g/mol
LogP0.22
Rot. Bonds3

About 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate

2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate (PubChem CID 57373164) has the molecular formula C12H12NO4- and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate.

Molecular Properties

Compound Name2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate
PubChem CID57373164
Molecular FormulaC12H12NO4-
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate
SMILESCC(C(=O)[O-])[C@H]1NC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C12H13NO4/c1-7(11(14)15)9-10(17-12(16)13-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,16)(H,14,15)/p-1/t7?,9-,10+/m1/s1
InChIKeyOXUZLOWKUBKCJZ-MKSVKPQVSA-M
XLogP0.22
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 84723470
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154
(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
4-(4-methylpiperidine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 110689071
(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 10536862
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 102031796
(4S,5R,6R)-4-(2-iodophenyl)-5-methyl-6-phenyl-1,3-oxazinan-2-one
CID 139125471

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate?
The IUPAC name of 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate (CID 57373164) is 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate.
What is the SMILES notation for 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate?
The canonical SMILES for 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate is CC(C(=O)[O-])[C@H]1NC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate?
The InChIKey is OXUZLOWKUBKCJZ-MKSVKPQVSA-M. The full InChI is InChI=1S/C12H13NO4/c1-7(11(14)15)9-10(17-12(16)13-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,16)(H,14,15)/p-1/t7?,9-,10+/m1/s1.
What are the key properties of 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate?
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate has a molecular weight of 234.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate is sourced from PubChem (CID 57373164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).