(5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one

C13H13ClFNO4 — CID 156824217

IUPAC(5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCCOc1c(C(C)=O)cc(Cl)c(F)c1[C@@H]1CNC(=O)O1
InChIInChI=1S/C13H13ClFNO4/c1-3-19-12-7(6(2)17)4-8(14)11(15)10(12)9-5-16-13(18)20-9/h4,9H,3,5H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyWJZFHCOUOXIGKV-VIFPVBQESA-N
MW301.70 g/mol
LogP2.86
Rot. Bonds4

About (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one

(5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 156824217) has the molecular formula C13H13ClFNO4 and a molecular weight of 301.70 g/mol. Its IUPAC name is (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID156824217
Molecular FormulaC13H13ClFNO4
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name(5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCCOc1c(C(C)=O)cc(Cl)c(F)c1[C@@H]1CNC(=O)O1
InChIInChI=1S/C13H13ClFNO4/c1-3-19-12-7(6(2)17)4-8(14)11(15)10(12)9-5-16-13(18)20-9/h4,9H,3,5H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyWJZFHCOUOXIGKV-VIFPVBQESA-N
XLogP2.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 166708754
[(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid
CID 166694113
1-[3-(azetidin-3-yl)-5-chloro-4-fluoro-2-methoxyphenyl]ethanone
CID 89422104
1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone
CID 86677773
1-[3-[1-amino-4-[tert-butyl(dimethyl)silyl]butyl]-5-chloro-2-ethoxy-4-fluorophenyl]ethanone
CID 90385086
4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one
CID 151607410
1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
CID 171005984
[1-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-hydroxyethyl] carbamate
CID 89422342
1-[3-(azetidin-3-yl)-4,5-dichloro-2-methoxyphenyl]ethanone
CID 89422199
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
[[(1S)-1-[5-chloro-2-ethoxy-4-fluoro-3-(5-oxopyrrolidin-3-yl)phenyl]ethyl]amino]carbamic acid
CID 122511227
1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone
CID 145307696

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one (CID 156824217) is (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one is CCOc1c(C(C)=O)cc(Cl)c(F)c1[C@@H]1CNC(=O)O1.
What is the InChIKey of (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is WJZFHCOUOXIGKV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13ClFNO4/c1-3-19-12-7(6(2)17)4-8(14)11(15)10(12)9-5-16-13(18)20-9/h4,9H,3,5H2,1-2H3,(H,16,18)/t9-/m0/s1.
What are the key properties of (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one?
(5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 301.70 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 156824217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).