benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate

C17H23NO5 — CID 12065926

IUPACbenzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate
SMILESCOC(=O)CC1CC(C(C)C)ON1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-12(2)15-9-14(10-16(19)21-3)18(23-15)17(20)22-11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyQDWJGESDWGBYSW-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.92
Rot. Bonds5

About benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate

benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate (PubChem CID 12065926) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate
PubChem CID12065926
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namebenzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate
SMILESCOC(=O)CC1CC(C(C)C)ON1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-12(2)15-9-14(10-16(19)21-3)18(23-15)17(20)22-11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyQDWJGESDWGBYSW-UHFFFAOYSA-N
XLogP2.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S,4R)-2-[2-[methoxy(methyl)amino]-2-oxoethyl]-4-phenylmethoxypyrrolidine-1-carboxylate
CID 44202098
Dimethyl 2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)butanedioate
CID 14122096
Benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate
CID 177217744
Benzyl 4-benzyl-5-oxo-1,2-oxazolidine-2-carboxylate
CID 155538808
Benzyl 1-[fluoro-(4-methoxycarbonylcyclohexyl)oxymethyl]pyrrolidin-1-ium-1-carboxylate
CID 17858966
benzyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 54150757
benzyl (2S,4S)-4-fluoro-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 58778937
benzyl (2S,3R)-2-(2-ethoxy-2-oxoethyl)-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 67628425
benzyl (2R,4S)-4-fluoro-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 68041519
benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 13425761
tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate
CID 11198020
tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-(4-methoxyphenyl)-1,2-oxazolidine-2-carboxylate
CID 11602758

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate?
The IUPAC name of benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate (CID 12065926) is benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate is COC(=O)CC1CC(C(C)C)ON1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate?
The InChIKey is QDWJGESDWGBYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12(2)15-9-14(10-16(19)21-3)18(23-15)17(20)22-11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate?
benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2-methoxy-2-oxoethyl)-5-propan-2-yl-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 12065926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).