ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate

C19H16FNO4 — CID 135009937

IUPACethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)OC(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-2-24-19(23)16-12-17(22)25-18(13-6-4-3-5-7-13)21(16)15-10-8-14(20)9-11-15/h3-12,18H,2H2,1H3
InChIKeyLGVCWGHZWRQYJQ-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.33
Rot. Bonds4

About ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate

ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate (PubChem CID 135009937) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate
PubChem CID135009937
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Nameethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)OC(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-2-24-19(23)16-12-17(22)25-18(13-6-4-3-5-7-13)21(16)15-10-8-14(20)9-11-15/h3-12,18H,2H2,1H3
InChIKeyLGVCWGHZWRQYJQ-UHFFFAOYSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate (CID 135009937) is ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate is CCOC(=O)C1=CC(=O)OC(c2ccccc2)N1c1ccc(F)cc1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate?
The InChIKey is LGVCWGHZWRQYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-2-24-19(23)16-12-17(22)25-18(13-6-4-3-5-7-13)21(16)15-10-8-14(20)9-11-15/h3-12,18H,2H2,1H3.
What are the key properties of ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate?
ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-6-oxo-2-phenyl-2H-1,3-oxazine-4-carboxylate is sourced from PubChem (CID 135009937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).