[2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate

C27H25F4N3O7S — CID 169425474

IUPAC[2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
SMILESCC(=O)CC[C@H]1CN(c2ccc(-c3ccc(-c4nc(COC(=O)C[NH3+])cs4)cc3)c(F)c2)C(=O)O1.O=C([O-])C(F)(F)F
InChIInChI=1S/C25H24FN3O5S.C2HF3O2/c1-15(30)2-8-20-12-29(25(32)34-20)19-7-9-21(22(26)10-19)16-3-5-17(6-4-16)24-28-18(14-35-24)13-33-23(31)11-27;3-2(4,5)1(6)7/h3-7,9-10,14,20H,2,8,11-13,27H2,1H3;(H,6,7)/t20-;/m0./s1
InChIKeyZXINALNWEFNKTM-BDQAORGHSA-N
MW611.57 g/mol
LogP2.89
Rot. Bonds9

About [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate

[2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate (PubChem CID 169425474) has the molecular formula C27H25F4N3O7S and a molecular weight of 611.57 g/mol. Its IUPAC name is [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
PubChem CID169425474
Molecular FormulaC27H25F4N3O7S
Molecular Weight611.57 g/mol
Exact Mass611.13
IUPAC Name[2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
SMILESCC(=O)CC[C@H]1CN(c2ccc(-c3ccc(-c4nc(COC(=O)C[NH3+])cs4)cc3)c(F)c2)C(=O)O1.O=C([O-])C(F)(F)F
InChIInChI=1S/C25H24FN3O5S.C2HF3O2/c1-15(30)2-8-20-12-29(25(32)34-20)19-7-9-21(22(26)10-19)16-3-5-17(6-4-16)24-28-18(14-35-24)13-33-23(31)11-27;3-2(4,5)1(6)7/h3-7,9-10,14,20H,2,8,11-13,27H2,1H3;(H,6,7)/t20-;/m0./s1
InChIKeyZXINALNWEFNKTM-BDQAORGHSA-N
XLogP2.89
TPSA153.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.57
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate with MolForge

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Related Compounds

[2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
CID 157371742
2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174633803
3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58277102
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 157352666
N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide
CID 58045537
(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159018748
[(5S)-3-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 68774327
(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58372627
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 11365410
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzenesulfonamide
CID 129070939

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate?
The IUPAC name of [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate (CID 169425474) is [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate?
The canonical SMILES for [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate is CC(=O)CC[C@H]1CN(c2ccc(-c3ccc(-c4nc(COC(=O)C[NH3+])cs4)cc3)c(F)c2)C(=O)O1.O=C([O-])C(F)(F)F.
What is the InChIKey of [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate?
The InChIKey is ZXINALNWEFNKTM-BDQAORGHSA-N. The full InChI is InChI=1S/C25H24FN3O5S.C2HF3O2/c1-15(30)2-8-20-12-29(25(32)34-20)19-7-9-21(22(26)10-19)16-3-5-17(6-4-16)24-28-18(14-35-24)13-33-23(31)11-27;3-2(4,5)1(6)7/h3-7,9-10,14,20H,2,8,11-13,27H2,1H3;(H,6,7)/t20-;/m0./s1.
What are the key properties of [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate?
[2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate has a molecular weight of 611.57 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 169425474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).