5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one

C11H12F2N2O3 — CID 116838121

IUPAC5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(N2CC(CN)OC2=O)cc1F
InChIInChI=1S/C11H12F2N2O3/c1-17-10-3-7(12)9(2-8(10)13)15-5-6(4-14)18-11(15)16/h2-3,6H,4-5,14H2,1H3
InChIKeyIOKZYZWDSAFXMM-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.26
Rot. Bonds3

About 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 116838121) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID116838121
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(N2CC(CN)OC2=O)cc1F
InChIInChI=1S/C11H12F2N2O3/c1-17-10-3-7(12)9(2-8(10)13)15-5-6(4-14)18-11(15)16/h2-3,6H,4-5,14H2,1H3
InChIKeyIOKZYZWDSAFXMM-UHFFFAOYSA-N
XLogP1.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
5-(aminomethyl)-3-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838111
5-(aminomethyl)-3-(2-methoxy-3,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838095
(5R)-5-(aminomethyl)-3-[3-fluoro-4-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577499
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[(1R,5S)-6-methyl-7-oxo-3-azabicyclo[3.1.1]heptan-3-yl]phenyl]-1,3-oxazolidin-2-one
CID 11002118
5-(aminomethyl)-3-[3-fluoro-4-[(3S)-3-fluoro-4,4-dimethoxypiperidin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 69311940
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 116838121) is 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1cc(F)c(N2CC(CN)OC2=O)cc1F.
What is the InChIKey of 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is IOKZYZWDSAFXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-17-10-3-7(12)9(2-8(10)13)15-5-6(4-14)18-11(15)16/h2-3,6H,4-5,14H2,1H3.
What are the key properties of 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 258.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 116838121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).