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

C11H11NO4 — CID 20653247

IUPACmethyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)C1OC(=O)NC1c1ccccc1
InChIInChI=1S/C11H11NO4/c1-15-10(13)9-8(12-11(14)16-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14)
InChIKeyOFJHCOWGFPMLTB-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.01
Rot. Bonds2

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

methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate (PubChem CID 20653247) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate
PubChem CID20653247
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)C1OC(=O)NC1c1ccccc1
InChIInChI=1S/C11H11NO4/c1-15-10(13)9-8(12-11(14)16-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14)
InChIKeyOFJHCOWGFPMLTB-UHFFFAOYSA-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

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
Propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 6636318
4-Phenyloxazolidin-2-one
CID 349728
(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 10969286
[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 16007206
[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl heptanoate
CID 44413412
methyl (4S,5R)-3-methylsulfanyl-2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate
CID 11992671
4-Phenyloxazolidine-2,5-dione
CID 14829411
Ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
CID 15953649
[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate
CID 44413400
Methyl 2-[(2-cyclohexyloxyacetyl)amino]-2-phenylacetate
CID 53565697

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate?
The IUPAC name of methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate (CID 20653247) is methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate is COC(=O)C1OC(=O)NC1c1ccccc1.
What is the InChIKey of methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate?
The InChIKey is OFJHCOWGFPMLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-10(13)9-8(12-11(14)16-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,12,14).
What are the key properties of methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate?
methyl 2-oxo-4-phenyl-1,3-oxazolidine-5-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 2-oxo-4-phenyl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 20653247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).