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

C15H17BrFNO4 — CID 123210106

IUPACethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)CC1CN(c2ccc(Br)c(F)c2)C(=O)O1
InChIInChI=1S/C15H17BrFNO4/c1-3-21-14(19)9(2)6-11-8-18(15(20)22-11)10-4-5-12(16)13(17)7-10/h4-5,7,9,11H,3,6,8H2,1-2H3
InChIKeyWTAXPLIJPOSEOZ-UHFFFAOYSA-N
MW374.21 g/mol
LogP3.50
Rot. Bonds5

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

ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate (PubChem CID 123210106) has the molecular formula C15H17BrFNO4 and a molecular weight of 374.21 g/mol. Its IUPAC name is ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate
PubChem CID123210106
Molecular FormulaC15H17BrFNO4
Molecular Weight374.21 g/mol
Exact Mass373.03
IUPAC Nameethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)CC1CN(c2ccc(Br)c(F)c2)C(=O)O1
InChIInChI=1S/C15H17BrFNO4/c1-3-21-14(19)9(2)6-11-8-18(15(20)22-11)10-4-5-12(16)13(17)7-10/h4-5,7,9,11H,3,6,8H2,1-2H3
InChIKeyWTAXPLIJPOSEOZ-UHFFFAOYSA-N
XLogP3.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate with MolForge

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Related Compounds

(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
methyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 70810531
tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880
5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate
CID 121351579
ethyl 4-[2-fluoro-4-[5-[(2-methylbutanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 22141020
[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 139974744
but-3-yn-1-ol;ethane;ethyl 3-[3-(4-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfanylpropanoate
CID 144840901
3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58277102
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
ethyl (2R)-3-[(5S)-3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate
CID 118059184

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate?
The IUPAC name of ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate (CID 123210106) is ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate is CCOC(=O)C(C)CC1CN(c2ccc(Br)c(F)c2)C(=O)O1.
What is the InChIKey of ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate?
The InChIKey is WTAXPLIJPOSEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO4/c1-3-21-14(19)9(2)6-11-8-18(15(20)22-11)10-4-5-12(16)13(17)7-10/h4-5,7,9,11H,3,6,8H2,1-2H3.
What are the key properties of ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate?
ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate has a molecular weight of 374.21 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate is sourced from PubChem (CID 123210106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).