ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

C19H17F2NO4 — CID 144617375

IUPACethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1CC(c2ccc(F)cc2)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C19H17F2NO4/c1-2-25-17(23)11-22-12-19(26-18(22)24,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10H,2,11-12H2,1H3
InChIKeyLNTRDBSIYMAPRA-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.22
Rot. Bonds5

About ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 144617375) has the molecular formula C19H17F2NO4 and a molecular weight of 361.34 g/mol. Its IUPAC name is ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID144617375
Molecular FormulaC19H17F2NO4
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Nameethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1CC(c2ccc(F)cc2)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C19H17F2NO4/c1-2-25-17(23)11-22-12-19(26-18(22)24,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10H,2,11-12H2,1H3
InChIKeyLNTRDBSIYMAPRA-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 61013046
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
ethyl 1-benzyl-3-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate;oxolane
CID 158483667
2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 82092175
ethyl 2-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425553
ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355208
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl (3S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 34175728
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 144617375) is ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is CCOC(=O)CN1CC(c2ccc(F)cc2)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is LNTRDBSIYMAPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO4/c1-2-25-17(23)11-22-12-19(26-18(22)24,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 361.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 144617375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).