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

C22H22FNO3 — CID 18795545

IUPAC3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)Cc2ccc(F)cc2)CO1
InChIInChI=1S/C22H22FNO3/c1-15-20(17-7-5-4-6-8-17)21(26)24(14-27-15)22(2,3)19(25)13-16-9-11-18(23)12-10-16/h4-12H,13-14H2,1-3H3
InChIKeyOSFXCOPRYJJYFW-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.96
Rot. Bonds5

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

3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 18795545) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID18795545
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)Cc2ccc(F)cc2)CO1
InChIInChI=1S/C22H22FNO3/c1-15-20(17-7-5-4-6-8-17)21(26)24(14-27-15)22(2,3)19(25)13-16-9-11-18(23)12-10-16/h4-12H,13-14H2,1-3H3
InChIKeyOSFXCOPRYJJYFW-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (CID 18795545) is 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)Cc2ccc(F)cc2)CO1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is OSFXCOPRYJJYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-15-20(17-7-5-4-6-8-17)21(26)24(14-27-15)22(2,3)19(25)13-16-9-11-18(23)12-10-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 367.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).