methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate

C22H19F2N5O5 — CID 11641363

IUPACmethyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(-c3c(F)cc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cn2)cn1
InChIInChI=1S/C22H19F2N5O5/c1-12(30)25-8-15-9-29(22(32)34-15)14-5-16(23)20(17(24)6-14)13-3-4-19(26-7-13)28-10-18(27-11-28)21(31)33-2/h3-7,10-11,15H,8-9H2,1-2H3,(H,25,30)/t15-/m0/s1
InChIKeyFKRKEDWTAJLKCV-HNNXBMFYSA-N
MW471.42 g/mol
LogP2.46
Rot. Bonds6

About methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate

methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate (PubChem CID 11641363) has the molecular formula C22H19F2N5O5 and a molecular weight of 471.42 g/mol. Its IUPAC name is methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate
PubChem CID11641363
Molecular FormulaC22H19F2N5O5
Molecular Weight471.42 g/mol
Exact Mass471.14
IUPAC Namemethyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(-c3c(F)cc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cn2)cn1
InChIInChI=1S/C22H19F2N5O5/c1-12(30)25-8-15-9-29(22(32)34-15)14-5-16(23)20(17(24)6-14)13-3-4-19(26-7-13)28-10-18(27-11-28)21(31)33-2/h3-7,10-11,15H,8-9H2,1-2H3,(H,25,30)/t15-/m0/s1
InChIKeyFKRKEDWTAJLKCV-HNNXBMFYSA-N
XLogP2.46
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate?
The IUPAC name of methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate (CID 11641363) is methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate is COC(=O)c1cn(-c2ccc(-c3c(F)cc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cn2)cn1.
What is the InChIKey of methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate?
The InChIKey is FKRKEDWTAJLKCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19F2N5O5/c1-12(30)25-8-15-9-29(22(32)34-15)14-5-16(23)20(17(24)6-14)13-3-4-19(26-7-13)28-10-18(27-11-28)21(31)33-2/h3-7,10-11,15H,8-9H2,1-2H3,(H,25,30)/t15-/m0/s1.
What are the key properties of methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate?
methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate has a molecular weight of 471.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-2-pyridinyl]imidazole-4-carboxylate is sourced from PubChem (CID 11641363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).