3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

C23H24F3NO3 — CID 18795498

IUPAC3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(O)Cc2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C23H24F3NO3/c1-15-20(17-9-5-4-6-10-17)21(29)27(14-30-15)22(2,3)19(28)13-16-8-7-11-18(12-16)23(24,25)26/h4-12,19,28H,13-14H2,1-3H3
InChIKeyXPRVBZWCKZPNPK-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.63
Rot. Bonds5

About 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 18795498) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID18795498
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(O)Cc2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C23H24F3NO3/c1-15-20(17-9-5-4-6-10-17)21(29)27(14-30-15)22(2,3)19(28)13-16-8-7-11-18(12-16)23(24,25)26/h4-12,19,28H,13-14H2,1-3H3
InChIKeyXPRVBZWCKZPNPK-UHFFFAOYSA-N
XLogP4.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (CID 18795498) is 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(O)Cc2cccc(C(F)(F)F)c2)CO1.
What is the InChIKey of 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is XPRVBZWCKZPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO3/c1-15-20(17-9-5-4-6-10-17)21(29)27(14-30-15)22(2,3)19(28)13-16-8-7-11-18(12-16)23(24,25)26/h4-12,19,28H,13-14H2,1-3H3.
What are the key properties of 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 419.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-2-methyl-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).