benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

C12H13NO4 — CID 3982420

IUPACbenzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C12H13NO4/c1-9-11(14)17-8-13(9)12(15)16-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyRPPNACKXIUVYEF-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.53
Rot. Bonds2

About benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 3982420) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID3982420
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namebenzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C12H13NO4/c1-9-11(14)17-8-13(9)12(15)16-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyRPPNACKXIUVYEF-UHFFFAOYSA-N
XLogP1.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
benzyl 4-(3,3-dimethoxypropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 59168843
benzyl 4-(3,3-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 174342570
5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
CID 139786436
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396
benzyl (4S)-4-[3-(dibenzylamino)-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 70149500
benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67742203
benzyl (4S)-4-(4,4-dimethoxybutyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10947705
benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 14596285
benzyl (4S)-4-[5-(1,3-dioxolan-2-yl)-3-oxopentyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 15669878
benzyl (4S)-4-(2-benzhydryloxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 101038526

Frequently Asked Questions

What is the IUPAC name of benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 3982420) is benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is CC1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is RPPNACKXIUVYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-9-11(14)17-8-13(9)12(15)16-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 3982420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).