methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate

C11H11NO4 — CID 121224065

IUPACmethyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1NC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO4/c1-15-10(13)8-9(16-11(14)12-8)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14)/t8-,9-/m0/s1
InChIKeyVUJGQVSYRRJJQV-IUCAKERBSA-N
MW221.21 g/mol
LogP1.01
Rot. Bonds2

About methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate

methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (PubChem CID 121224065) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
PubChem CID121224065
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1NC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO4/c1-15-10(13)8-9(16-11(14)12-8)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14)/t8-,9-/m0/s1
InChIKeyVUJGQVSYRRJJQV-IUCAKERBSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 90123748
methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139751050
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154
N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689161
N-(2-methoxy-5-methylphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689156
ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139842665
N-(5-chloro-2-methoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689150
N-(4-fluorophenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689144
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165
4-(4-methylpiperidine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 110689071
5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 90123803
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (CID 121224065) is methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@H]1NC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is VUJGQVSYRRJJQV-IUCAKERBSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-10(13)8-9(16-11(14)12-8)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14)/t8-,9-/m0/s1.
What are the key properties of methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 121224065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).