3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

C20H20FNO2 — CID 22906710

IUPAC3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cccc(F)c2)CO1
InChIInChI=1S/C20H20FNO2/c1-14-18(15-8-5-4-6-9-15)19(23)22(13-24-14)20(2,3)16-10-7-11-17(21)12-16/h4-12H,13H2,1-3H3
InChIKeyJZDKDFIRHCXZCJ-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.31
Rot. Bonds3

About 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 22906710) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID22906710
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cccc(F)c2)CO1
InChIInChI=1S/C20H20FNO2/c1-14-18(15-8-5-4-6-9-15)19(23)22(13-24-14)20(2,3)16-10-7-11-17(21)12-16/h4-12H,13H2,1-3H3
InChIKeyJZDKDFIRHCXZCJ-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (CID 22906710) is 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cccc(F)c2)CO1.
What is the InChIKey of 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is JZDKDFIRHCXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14-18(15-8-5-4-6-9-15)19(23)22(13-24-14)20(2,3)16-10-7-11-17(21)12-16/h4-12H,13H2,1-3H3.
What are the key properties of 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 325.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 22906710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).