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

C27H28FN3O6 — CID 67016407

IUPACmethyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2ccc(-c3ccc(N4CC([C@H](N)C(C)=O)OC4=O)cc3F)cc2)oc1C
InChIInChI=1S/C27H28FN3O6/c1-15(32)25(29)24-14-31(27(34)37-24)19-8-9-21(23(28)10-19)18-6-4-17(5-7-18)12-30-13-20-11-22(16(2)36-20)26(33)35-3/h4-11,24-25,30H,12-14,29H2,1-3H3/t24?,25-/m1/s1
InChIKeyBVTHQUTUJCFUSU-WUBHUQEYSA-N
MW509.53 g/mol
LogP3.71
Rot. Bonds9

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

methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 67016407) has the molecular formula C27H28FN3O6 and a molecular weight of 509.53 g/mol. Its IUPAC name is methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID67016407
Molecular FormulaC27H28FN3O6
Molecular Weight509.53 g/mol
Exact Mass509.20
IUPAC Namemethyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2ccc(-c3ccc(N4CC([C@H](N)C(C)=O)OC4=O)cc3F)cc2)oc1C
InChIInChI=1S/C27H28FN3O6/c1-15(32)25(29)24-14-31(27(34)37-24)19-8-9-21(23(28)10-19)18-6-4-17(5-7-18)12-30-13-20-11-22(16(2)36-20)26(33)35-3/h4-11,24-25,30H,12-14,29H2,1-3H3/t24?,25-/m1/s1
InChIKeyBVTHQUTUJCFUSU-WUBHUQEYSA-N
XLogP3.71
TPSA124.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-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-[(1S)-1-amino-2-oxopropyl]-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-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate (CID 67016407) is methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-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-[(1S)-1-amino-2-oxopropyl]-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-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCc2ccc(-c3ccc(N4CC([C@H](N)C(C)=O)OC4=O)cc3F)cc2)oc1C.
What is the InChIKey of methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is BVTHQUTUJCFUSU-WUBHUQEYSA-N. The full InChI is InChI=1S/C27H28FN3O6/c1-15(32)25(29)24-14-31(27(34)37-24)19-8-9-21(23(28)10-19)18-6-4-17(5-7-18)12-30-13-20-11-22(16(2)36-20)26(33)35-3/h4-11,24-25,30H,12-14,29H2,1-3H3/t24?,25-/m1/s1.
What are the key properties of methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-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 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 67016407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).