tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H26FNO5 — CID 72806404

IUPACtert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)C(F)CC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26FNO5/c1-7-20-12(18)11(16)8-10-9-21-15(5,6)17(10)13(19)22-14(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyVEKDODPJHCRZOW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 72806404) has the molecular formula C15H26FNO5 and a molecular weight of 319.37 g/mol. Its IUPAC name is tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID72806404
Molecular FormulaC15H26FNO5
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Nametert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)C(F)CC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26FNO5/c1-7-20-12(18)11(16)8-10-9-21-15(5,6)17(10)13(19)22-14(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyVEKDODPJHCRZOW-UHFFFAOYSA-N
XLogP2.65
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-tert-Butyl 2-ethyl 5-methoxypyrrolidine-1,2-dicarboxylate
CID 10445972
Tert-butyl 4-(4-methoxy-4-oxobutan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14523069
(S)-3-Boc-2,2-dimethyloxazolidine-4-propanoic Acid
CID 10635974
1-(1,1-Dimethylethyl) 2-methyl (2S)-5-methoxy-1,2-pyrrolidinedicarboxylate
CID 10912231
Tert-butyl (4S)-2,2-dimethyl-4-(3-oxopropyl)-1,3-oxazolidine-3-carboxylate
CID 10923184
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate
CID 122484559
methyl 5-((2S,4S)-1-(tert-butoxycarbonyl)-4-fluoro-2-pyrrolidinylmethoxy)pentanoate
CID 67405510
tert-butyl (4R)-4-[(1R,2R)-3-ethoxy-2-fluoro-1-hydroxy-2-methyl-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 90176449
2-O-butyl 1-O-tert-butyl (2S,4R)-4-fluoro-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 126670939
5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid
CID 141053603
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(1-fluoroethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 157732976
tert-butyl (4R)-4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223848

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 72806404) is tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)C(F)CC1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VEKDODPJHCRZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO5/c1-7-20-12(18)11(16)8-10-9-21-15(5,6)17(10)13(19)22-14(2,3)4/h10-11H,7-9H2,1-6H3.
What are the key properties of tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 72806404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).