tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate

C18H20FNO5 — CID 166775903

IUPACtert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate
SMILESCc1cc(F)c2c(c1)CCC21OC(=O)N(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C18H20FNO5/c1-10-7-11-5-6-18(14(11)12(19)8-10)15(22)20(16(23)25-18)9-13(21)24-17(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyWJDZJFBVYUZQFJ-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate

tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate (PubChem CID 166775903) has the molecular formula C18H20FNO5 and a molecular weight of 349.36 g/mol. Its IUPAC name is tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate
PubChem CID166775903
Molecular FormulaC18H20FNO5
Molecular Weight349.36 g/mol
Exact Mass349.13
IUPAC Nametert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate
SMILESCc1cc(F)c2c(c1)CCC21OC(=O)N(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C18H20FNO5/c1-10-7-11-5-6-18(14(11)12(19)8-10)15(22)20(16(23)25-18)9-13(21)24-17(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyWJDZJFBVYUZQFJ-UHFFFAOYSA-N
XLogP2.60
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate with MolForge

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Related Compounds

tert-butyl 2-(6-amino-4-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate;tert-butyl 2-[4-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate;methane
CID 164973760
tert-butyl 2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
CID 118957975
tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
CID 146633945
tert-butyl 2-[(1R,3S)-1-fluoro-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
CID 118958129
2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
CID 165075191
CID 165098214
CID 165098214
tert-butyl 4-[[2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetyl]-[(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxylate
CID 118957282
tert-butyl 2-(5-bromo-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate
CID 170324329
dipotassium;tert-butyl 2-(6-acetamido-5-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate;tert-butyl 2-bromoacetate;N-(6'-fluoro-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl)acetamide;hydride;methane;methanol;methyl 2-(6-amino-5-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate;methyl 2-[(3R)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate;oxido formate
CID 165001385
tert-butyl 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetate
CID 40857312
tert-butyl 2-[4-[(4-fluorophenyl)methyl-[2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]cyclohexylidene]acetate
CID 140851166
tert-butyl 4-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 118957242

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate?
The IUPAC name of tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate (CID 166775903) is tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate?
The canonical SMILES for tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate is Cc1cc(F)c2c(c1)CCC21OC(=O)N(CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate?
The InChIKey is WJDZJFBVYUZQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5/c1-10-7-11-5-6-18(14(11)12(19)8-10)15(22)20(16(23)25-18)9-13(21)24-17(2,3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate?
tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate has a molecular weight of 349.36 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-fluoro-6-methyl-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetate is sourced from PubChem (CID 166775903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).