ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate

C18H16FNO4 — CID 142694824

IUPACethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(N3CCOC3=O)cc2F)cc1
InChIInChI=1S/C18H16FNO4/c1-2-23-17(21)13-5-3-12(4-6-13)15-8-7-14(11-16(15)19)20-9-10-24-18(20)22/h3-8,11H,2,9-10H2,1H3
InChIKeyBWOCMKAFWRAAIN-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.63
Rot. Bonds4

About ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate

ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate (PubChem CID 142694824) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
PubChem CID142694824
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Nameethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(N3CCOC3=O)cc2F)cc1
InChIInChI=1S/C18H16FNO4/c1-2-23-17(21)13-5-3-12(4-6-13)15-8-7-14(11-16(15)19)20-9-10-24-18(20)22/h3-8,11H,2,9-10H2,1H3
InChIKeyBWOCMKAFWRAAIN-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide
CID 142694832
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate
CID 130177678
3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18980579
3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide
CID 55688065
2-(4-ethoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53227867
ethyl 4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzoate
CID 110686650
ethyl 3-fluoro-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzoate
CID 142784107
4-(4-ethoxycarbonylphenyl)-3-methylbenzoic acid
CID 53227859
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate?
The IUPAC name of ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate (CID 142694824) is ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate.
What is the SMILES notation for ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate?
The canonical SMILES for ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate is CCOC(=O)c1ccc(-c2ccc(N3CCOC3=O)cc2F)cc1.
What is the InChIKey of ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate?
The InChIKey is BWOCMKAFWRAAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-2-23-17(21)13-5-3-12(4-6-13)15-8-7-14(11-16(15)19)20-9-10-24-18(20)22/h3-8,11H,2,9-10H2,1H3.
What are the key properties of ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate?
ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate has a molecular weight of 329.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate is sourced from PubChem (CID 142694824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).