methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate

C18H16FNO4 — CID 57487855

IUPACmethyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CC(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C18H16FNO4/c1-23-17(21)14-4-2-12(3-5-14)10-20-11-16(24-18(20)22)13-6-8-15(19)9-7-13/h2-9,16H,10-11H2,1H3
InChIKeyYPAQPXUDWJBKLH-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.31
Rot. Bonds4

About methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate

methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate (PubChem CID 57487855) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
PubChem CID57487855
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Namemethyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CC(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C18H16FNO4/c1-23-17(21)14-4-2-12(3-5-14)10-20-11-16(24-18(20)22)13-6-8-15(19)9-7-13/h2-9,16H,10-11H2,1H3
InChIKeyYPAQPXUDWJBKLH-UHFFFAOYSA-N
XLogP3.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate with MolForge

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Related Compounds

3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 24967350
N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide
CID 24965216
N-[2-(dimethylamino)ethyl]-3-[4-[[(5R)-5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-methylbenzamide
CID 24965916
methyl 4-[(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 94073138
methyl 4-[[(2R,6S)-4-(4-fluorophenyl)-2,6-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367010
2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 82087088
3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82084036
methyl 1-[(4-methoxycarbonylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 50873960
CID 170307924
CID 170307924
ethyl 3-benzyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4876075
methyl 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzoate
CID 28942654
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate (CID 57487855) is methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate is COC(=O)c1ccc(CN2CC(c3ccc(F)cc3)OC2=O)cc1.
What is the InChIKey of methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate?
The InChIKey is YPAQPXUDWJBKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-23-17(21)14-4-2-12(3-5-14)10-20-11-16(24-18(20)22)13-6-8-15(19)9-7-13/h2-9,16H,10-11H2,1H3.
What are the key properties of methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate?
methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate has a molecular weight of 329.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate is sourced from PubChem (CID 57487855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).