ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate

C18H18FN3O6 — CID 142682734

IUPACethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)n1
InChIInChI=1S/C18H18FN3O6/c1-3-26-17(24)15-9-27-16(21-15)13-5-4-11(6-14(13)19)22-8-12(28-18(22)25)7-20-10(2)23/h4-6,9,12H,3,7-8H2,1-2H3,(H,20,23)
InChIKeyDVZRMCJJJBZZOC-UHFFFAOYSA-N
MW391.36 g/mol
LogP2.12
Rot. Bonds6

About ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate

ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate (PubChem CID 142682734) has the molecular formula C18H18FN3O6 and a molecular weight of 391.36 g/mol. Its IUPAC name is ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate
PubChem CID142682734
Molecular FormulaC18H18FN3O6
Molecular Weight391.36 g/mol
Exact Mass391.12
IUPAC Nameethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)n1
InChIInChI=1S/C18H18FN3O6/c1-3-26-17(24)15-9-27-16(21-15)13-5-4-11(6-14(13)19)22-8-12(28-18(22)25)7-20-10(2)23/h4-6,9,12H,3,7-8H2,1-2H3,(H,20,23)
InChIKeyDVZRMCJJJBZZOC-UHFFFAOYSA-N
XLogP2.12
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate
CID 142682714
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 142682767
methyl N-[[3-[4-(4-carbamoyl-1,3-oxazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 142682754
N-[[3-[3-fluoro-4-[4-(1-methyltetrazol-5-yl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142682717
N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25120883
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
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
N-[[(5R)-3-[4-[4-[(5S)-5-[(diaminomethylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10345940
N-[[(5R)-3-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10348392
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate (CID 142682734) is ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)n1.
What is the InChIKey of ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is DVZRMCJJJBZZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O6/c1-3-26-17(24)15-9-27-16(21-15)13-5-4-11(6-14(13)19)22-8-12(28-18(22)25)7-20-10(2)23/h4-6,9,12H,3,7-8H2,1-2H3,(H,20,23).
What are the key properties of ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 391.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 142682734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).