ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate

C18H18FN3O7 — CID 142682714

IUPACethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(N3CC(CNC(=O)OC)OC3=O)cc2F)n1
InChIInChI=1S/C18H18FN3O7/c1-3-27-16(23)14-9-28-15(21-14)12-5-4-10(6-13(12)19)22-8-11(29-18(22)25)7-20-17(24)26-2/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,24)
InChIKeyLRVZNVQNPCXWIZ-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.34
Rot. Bonds6

About ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate

ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 142682714) has the molecular formula C18H18FN3O7 and a molecular weight of 407.35 g/mol. Its IUPAC name is ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate
PubChem CID142682714
Molecular FormulaC18H18FN3O7
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Nameethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(N3CC(CNC(=O)OC)OC3=O)cc2F)n1
InChIInChI=1S/C18H18FN3O7/c1-3-27-16(23)14-9-28-15(21-14)12-5-4-10(6-13(12)19)22-8-11(29-18(22)25)7-20-17(24)26-2/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,24)
InChIKeyLRVZNVQNPCXWIZ-UHFFFAOYSA-N
XLogP2.34
TPSA120.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 142682734
methyl N-[[3-[4-(4-carbamoyl-1,3-oxazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 142682754
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 142682767
methyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 70810531
methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 58610310
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
methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 23529051
tert-butyl N-[[(5S)-3-[4-[4-[(5S)-5-[(dimethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 10053177
N-[[(5S)-3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 71740964
methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805
methyl N-[[(5S)-3-[3-fluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 126494437

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate (CID 142682714) is ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccc(N3CC(CNC(=O)OC)OC3=O)cc2F)n1.
What is the InChIKey of ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is LRVZNVQNPCXWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O7/c1-3-27-16(23)14-9-28-15(21-14)12-5-4-10(6-13(12)19)22-8-11(29-18(22)25)7-20-17(24)26-2/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,24).
What are the key properties of ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 407.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 142682714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).