5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one

C18H22FNO3 — CID 18795480

IUPAC5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one
SMILESCCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O
InChIInChI=1S/C18H22FNO3/c1-5-8-15(21)18(3,4)20-11-23-12(2)16(17(20)22)13-9-6-7-10-14(13)19/h6-7,9-10H,5,8,11H2,1-4H3
InChIKeyFGOBFTNIJJKKEL-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.52
Rot. Bonds5

About 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one

5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one (PubChem CID 18795480) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one
PubChem CID18795480
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one
SMILESCCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O
InChIInChI=1S/C18H22FNO3/c1-5-8-15(21)18(3,4)20-11-23-12(2)16(17(20)22)13-9-6-7-10-14(13)19/h6-7,9-10H,5,8,11H2,1-4H3
InChIKeyFGOBFTNIJJKKEL-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one?
The IUPAC name of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one (CID 18795480) is 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one.
What is the SMILES notation for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one?
The canonical SMILES for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one is CCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O.
What is the InChIKey of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one?
The InChIKey is FGOBFTNIJJKKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-5-8-15(21)18(3,4)20-11-23-12(2)16(17(20)22)13-9-6-7-10-14(13)19/h6-7,9-10H,5,8,11H2,1-4H3.
What are the key properties of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one?
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one has a molecular weight of 319.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).