methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate

C19H18FN3O5 — CID 10200204

IUPACmethyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1
InChIInChI=1S/C19H18FN3O5/c1-11(24)22-9-15-10-23(19(26)28-15)14-3-4-16(17(20)6-14)12-5-13(8-21-7-12)18(25)27-2/h3-8,15H,9-10H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyVZYNCNNLBCWFJH-HNNXBMFYSA-N
MW387.37 g/mol
LogP2.14
Rot. Bonds5

About methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate

methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate (PubChem CID 10200204) has the molecular formula C19H18FN3O5 and a molecular weight of 387.37 g/mol. Its IUPAC name is methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
PubChem CID10200204
Molecular FormulaC19H18FN3O5
Molecular Weight387.37 g/mol
Exact Mass387.12
IUPAC Namemethyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1
InChIInChI=1S/C19H18FN3O5/c1-11(24)22-9-15-10-23(19(26)28-15)14-3-4-16(17(20)6-14)12-5-13(8-21-7-12)18(25)27-2/h3-8,15H,9-10H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyVZYNCNNLBCWFJH-HNNXBMFYSA-N
XLogP2.14
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate (CID 10200204) is methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1.
What is the InChIKey of methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate?
The InChIKey is VZYNCNNLBCWFJH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18FN3O5/c1-11(24)22-9-15-10-23(19(26)28-15)14-3-4-16(17(20)6-14)12-5-13(8-21-7-12)18(25)27-2/h3-8,15H,9-10H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate?
methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate has a molecular weight of 387.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate is sourced from PubChem (CID 10200204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).