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

C14H14FNO4 — CID 135038027

IUPACethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)OC(C)N1c1ccc(F)cc1
InChIInChI=1S/C14H14FNO4/c1-3-19-14(18)12-8-13(17)20-9(2)16(12)11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3
InChIKeyRYXGZPGNFDTKEU-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.98
Rot. Bonds3

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

ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate (PubChem CID 135038027) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate
PubChem CID135038027
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Nameethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)OC(C)N1c1ccc(F)cc1
InChIInChI=1S/C14H14FNO4/c1-3-19-14(18)12-8-13(17)20-9(2)16(12)11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3
InChIKeyRYXGZPGNFDTKEU-UHFFFAOYSA-N
XLogP1.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.98
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)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate (CID 135038027) is ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate is CCOC(=O)C1=CC(=O)OC(C)N1c1ccc(F)cc1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate?
The InChIKey is RYXGZPGNFDTKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c1-3-19-14(18)12-8-13(17)20-9(2)16(12)11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate?
ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate has a molecular weight of 279.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-2-methyl-6-oxo-2H-1,3-oxazine-4-carboxylate is sourced from PubChem (CID 135038027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).