5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one

C10H10F2N2O2 — CID 82023144

IUPAC5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2c(F)cccc2F)C(=O)O1
InChIInChI=1S/C10H10F2N2O2/c11-7-2-1-3-8(12)9(7)14-5-6(4-13)16-10(14)15/h1-3,6H,4-5,13H2
InChIKeyVJKMPESPQQSNGB-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.25
Rot. Bonds2

About 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 82023144) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
PubChem CID82023144
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2c(F)cccc2F)C(=O)O1
InChIInChI=1S/C10H10F2N2O2/c11-7-2-1-3-8(12)9(7)14-5-6(4-13)16-10(14)15/h1-3,6H,4-5,13H2
InChIKeyVJKMPESPQQSNGB-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
CID 116838093
(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one
CID 70285284
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzonitrile
CID 67538154
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one (CID 82023144) is 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one is NCC1CN(c2c(F)cccc2F)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is VJKMPESPQQSNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c11-7-2-1-3-8(12)9(7)14-5-6(4-13)16-10(14)15/h1-3,6H,4-5,13H2.
What are the key properties of 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 228.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82023144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).