5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one

C14H16F2N4O3 — CID 173214222

IUPAC5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one
SMILESCON=C1N(C)c2cccc(N3CC(CN)OC3=O)c2C1(F)F
InChIInChI=1S/C14H16F2N4O3/c1-19-9-4-3-5-10(20-7-8(6-17)23-13(20)21)11(9)14(15,16)12(19)18-22-2/h3-5,8H,6-7,17H2,1-2H3
InChIKeyCGNHXLSLGFIMIJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.47
Rot. Bonds3

About 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one (PubChem CID 173214222) has the molecular formula C14H16F2N4O3 and a molecular weight of 326.30 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one
PubChem CID173214222
Molecular FormulaC14H16F2N4O3
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one
SMILESCON=C1N(C)c2cccc(N3CC(CN)OC3=O)c2C1(F)F
InChIInChI=1S/C14H16F2N4O3/c1-19-9-4-3-5-10(20-7-8(6-17)23-13(20)21)11(9)14(15,16)12(19)18-22-2/h3-5,8H,6-7,17H2,1-2H3
InChIKeyCGNHXLSLGFIMIJ-UHFFFAOYSA-N
XLogP1.47
TPSA80.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one
CID 173215446
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 116838121
5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one
CID 115056763
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one
CID 70285284
5-(aminomethyl)-3-(2-methoxy-3,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838095
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

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one (CID 173214222) is 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one is CON=C1N(C)c2cccc(N3CC(CN)OC3=O)c2C1(F)F.
What is the InChIKey of 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is CGNHXLSLGFIMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O3/c1-19-9-4-3-5-10(20-7-8(6-17)23-13(20)21)11(9)14(15,16)12(19)18-22-2/h3-5,8H,6-7,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 326.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 173214222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).