6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one

C19H25NO3 — CID 18795467

IUPAC6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)C(C)(C)C)CO1
InChIInChI=1S/C19H25NO3/c1-13-15(14-10-8-7-9-11-14)16(21)20(12-23-13)19(5,6)17(22)18(2,3)4/h7-11H,12H2,1-6H3
InChIKeyWTTVCCMBGQXVRG-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.63
Rot. Bonds3

About 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one

6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one (PubChem CID 18795467) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one
PubChem CID18795467
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)C(C)(C)C)CO1
InChIInChI=1S/C19H25NO3/c1-13-15(14-10-8-7-9-11-14)16(21)20(12-23-13)19(5,6)17(22)18(2,3)4/h7-11H,12H2,1-6H3
InChIKeyWTTVCCMBGQXVRG-UHFFFAOYSA-N
XLogP3.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-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 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one (CID 18795467) is 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)C(C)(C)C)CO1.
What is the InChIKey of 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one?
The InChIKey is WTTVCCMBGQXVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-15(14-10-8-7-9-11-14)16(21)20(12-23-13)19(5,6)17(22)18(2,3)4/h7-11H,12H2,1-6H3.
What are the key properties of 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one?
6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one has a molecular weight of 315.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-3-(2,4,4-trimethyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).