methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate

C20H22FN3O6 — CID 70117574

IUPACmethyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)N1CC=C(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C20H22FN3O6/c1-12(25)22-10-15-11-24(20(28)30-15)14-3-4-16(17(21)9-14)13-5-7-23(8-6-13)18(26)19(27)29-2/h3-5,9,15H,6-8,10-11H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyYFGZNELXRNBNRF-HNNXBMFYSA-N
MW419.41 g/mol
LogP1.08
Rot. Bonds4

About methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate

methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate (PubChem CID 70117574) has the molecular formula C20H22FN3O6 and a molecular weight of 419.41 g/mol. Its IUPAC name is methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
PubChem CID70117574
Molecular FormulaC20H22FN3O6
Molecular Weight419.41 g/mol
Exact Mass419.15
IUPAC Namemethyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)N1CC=C(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C20H22FN3O6/c1-12(25)22-10-15-11-24(20(28)30-15)14-3-4-16(17(21)9-14)13-5-7-23(8-6-13)18(26)19(27)29-2/h3-5,9,15H,6-8,10-11H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyYFGZNELXRNBNRF-HNNXBMFYSA-N
XLogP1.08
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11236107
N-[[3-[3-fluoro-4-[(1S)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57138415
methyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18005332
N-[[(5S)-3-[3-fluoro-4-[1-(1-methylpyrrole-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 11248076
N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352841
N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352840
N-[[(5S)-3-[4-(5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352850
N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10162427
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
CID 70169966
(2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide
CID 142175980

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate (CID 70117574) is methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate is COC(=O)C(=O)N1CC=C(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1.
What is the InChIKey of methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate?
The InChIKey is YFGZNELXRNBNRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FN3O6/c1-12(25)22-10-15-11-24(20(28)30-15)14-3-4-16(17(21)9-14)13-5-7-23(8-6-13)18(26)19(27)29-2/h3-5,9,15H,6-8,10-11H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate?
methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate has a molecular weight of 419.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate is sourced from PubChem (CID 70117574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).