3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one

C13H13FN2O4 — CID 142270175

IUPAC3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(c2ccc(N3CCOC3=O)cc2F)C(=O)O1
InChIInChI=1S/C13H13FN2O4/c1-8-7-16(13(18)20-8)11-3-2-9(6-10(11)14)15-4-5-19-12(15)17/h2-3,6,8H,4-5,7H2,1H3
InChIKeyMCSSRBYPSXEUNS-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.13
Rot. Bonds2

About 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one

3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 142270175) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID142270175
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(c2ccc(N3CCOC3=O)cc2F)C(=O)O1
InChIInChI=1S/C13H13FN2O4/c1-8-7-16(13(18)20-8)11-3-2-9(6-10(11)14)15-4-5-19-12(15)17/h2-3,6,8H,4-5,7H2,1H3
InChIKeyMCSSRBYPSXEUNS-UHFFFAOYSA-N
XLogP2.13
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-fluoro-4-(3-methyl-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140974557
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
[3-[3-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 21026244
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate
CID 173302482
3-[4-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazin-1-yl]-3-oxopropanenitrile
CID 91333572
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
N-[[(5S)-3-[3-fluoro-4-(2-sulfanylidene-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 58619730
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one
CID 118177592
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 95329562
(5S)-3-[3-fluoro-4-[2-(pyridin-3-ylmethyl)-1,2,5-oxadiazepan-5-yl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 89067468
3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 143068646

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one (CID 142270175) is 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(c2ccc(N3CCOC3=O)cc2F)C(=O)O1.
What is the InChIKey of 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is MCSSRBYPSXEUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-8-7-16(13(18)20-8)11-3-2-9(6-10(11)14)15-4-5-19-12(15)17/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 280.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 142270175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).