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

C5H7NO4 — CID 500251

IUPACmethyl 2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1
InChIInChI=1S/C5H7NO4/c1-9-4(7)3-2-10-5(8)6-3/h3H,2H2,1H3,(H,6,8)
InChIKeyPZIWTVKXOORXAZ-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.73
Rot. Bonds1

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

methyl 2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 500251) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is methyl 2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID500251
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Namemethyl 2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1
InChIInChI=1S/C5H7NO4/c1-9-4(7)3-2-10-5(8)6-3/h3H,2H2,1H3,(H,6,8)
InChIKeyPZIWTVKXOORXAZ-UHFFFAOYSA-N
XLogP-0.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-5-Methyl-2-oxooxazolidine-4-carboxylic acid
CID 11412450
(4S)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052097
(s)-Methyl 2-oxooxazolidine-4-carboxylate
CID 385463
(S)-4-Methyloxazolidine-2,5-dione
CID 10996998
(4R,5S)-5-Methyl-2-oxooxazolidine-4-carboxylic acid
CID 45084654
2-Oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052096
(4R)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052098
5-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 285712
5-Methyl-2-oxo-oxazolidine-4-carboxylic acid methyl ester
CID 12781789
Ethyl 2-oxo-1,3-oxazolidine-4-carboxylate
CID 538344
(S)-4-(Ethoxycarbonyl)oxazolidine-2-one
CID 12163241
(R)-Methyl 2-oxooxazolidine-4-carboxylate
CID 385465

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-oxazolidine-4-carboxylate (CID 500251) is methyl 2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(=O)N1.
What is the InChIKey of methyl 2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is PZIWTVKXOORXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c1-9-4(7)3-2-10-5(8)6-3/h3H,2H2,1H3,(H,6,8).
What are the key properties of methyl 2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 145.11 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 500251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).