methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate

C27H28FN3O6 — CID 23404179

IUPACmethyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2ccc(-c3ccc(N4CC(CNC(C)=O)OC4=O)cc3F)cc2)oc1C
InChIInChI=1S/C27H28FN3O6/c1-16-24(26(33)35-3)11-21(36-16)13-29-12-18-4-6-19(7-5-18)23-9-8-20(10-25(23)28)31-15-22(37-27(31)34)14-30-17(2)32/h4-11,22,29H,12-15H2,1-3H3,(H,30,32)
InChIKeyYNTYUXITVXQIIM-UHFFFAOYSA-N
MW509.53 g/mol
LogP3.93
Rot. Bonds9

About methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 23404179) has the molecular formula C27H28FN3O6 and a molecular weight of 509.53 g/mol. Its IUPAC name is methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID23404179
Molecular FormulaC27H28FN3O6
Molecular Weight509.53 g/mol
Exact Mass509.20
IUPAC Namemethyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2ccc(-c3ccc(N4CC(CNC(C)=O)OC4=O)cc3F)cc2)oc1C
InChIInChI=1S/C27H28FN3O6/c1-16-24(26(33)35-3)11-21(36-16)13-29-12-18-4-6-19(7-5-18)23-9-8-20(10-25(23)28)31-15-22(37-27(31)34)14-30-17(2)32/h4-11,22,29H,12-15H2,1-3H3,(H,30,32)
InChIKeyYNTYUXITVXQIIM-UHFFFAOYSA-N
XLogP3.93
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate (CID 23404179) is methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCc2ccc(-c3ccc(N4CC(CNC(C)=O)OC4=O)cc3F)cc2)oc1C.
What is the InChIKey of methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is YNTYUXITVXQIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O6/c1-16-24(26(33)35-3)11-21(36-16)13-29-12-18-4-6-19(7-5-18)23-9-8-20(10-25(23)28)31-15-22(37-27(31)34)14-30-17(2)32/h4-11,22,29H,12-15H2,1-3H3,(H,30,32).
What are the key properties of methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 509.53 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 23404179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).