methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium

C14H15F3N3O4+ — CID 8551314

IUPACmethyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N1CCOC1=O
InChIInChI=1S/C14H14F3N3O4/c1-19(7-11(22)20-4-5-24-14(20)23)6-10(21)18-9-3-2-8(15)12(16)13(9)17/h2-3H,4-7H2,1H3,(H,18,21)/p+1
InChIKeySFPUHFRWCURZGB-UHFFFAOYSA-O
MW346.29 g/mol
LogP-0.46
Rot. Bonds5

About methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium

methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium (PubChem CID 8551314) has the molecular formula C14H15F3N3O4+ and a molecular weight of 346.29 g/mol. Its IUPAC name is methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
PubChem CID8551314
Molecular FormulaC14H15F3N3O4+
Molecular Weight346.29 g/mol
Exact Mass346.10
IUPAC Namemethyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N1CCOC1=O
InChIInChI=1S/C14H14F3N3O4/c1-19(7-11(22)20-4-5-24-14(20)23)6-10(21)18-9-3-2-8(15)12(16)13(9)17/h2-3H,4-7H2,1H3,(H,18,21)/p+1
InChIKeySFPUHFRWCURZGB-UHFFFAOYSA-O
XLogP-0.46
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197874
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197933
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197775
methyl-[[(2R)-oxan-2-yl]methyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197476
methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8550006
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 2657991
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197762
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197489
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197745
[2-(3-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197881
(4,6-diamino-1,3,5-triazin-2-yl)methyl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9043075
methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8709925

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium (CID 8551314) is methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium is C[NH+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N1CCOC1=O.
What is the InChIKey of methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The InChIKey is SFPUHFRWCURZGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14F3N3O4/c1-19(7-11(22)20-4-5-24-14(20)23)6-10(21)18-9-3-2-8(15)12(16)13(9)17/h2-3H,4-7H2,1H3,(H,18,21)/p+1.
What are the key properties of methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium has a molecular weight of 346.29 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium is sourced from PubChem (CID 8551314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).