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

C19H25NO3 — CID 18795442

IUPAC3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCCC(C)C(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H25NO3/c1-6-13(2)17(21)19(4,5)20-12-23-14(3)16(18(20)22)15-10-8-7-9-11-15/h7-11,13H,6,12H2,1-5H3
InChIKeyUWYCXCFCAXSXIC-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.63
Rot. Bonds5

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

3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 18795442) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID18795442
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCCC(C)C(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H25NO3/c1-6-13(2)17(21)19(4,5)20-12-23-14(3)16(18(20)22)15-10-8-7-9-11-15/h7-11,13H,6,12H2,1-5H3
InChIKeyUWYCXCFCAXSXIC-UHFFFAOYSA-N
XLogP3.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (CID 18795442) is 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is CCC(C)C(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is UWYCXCFCAXSXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-6-13(2)17(21)19(4,5)20-12-23-14(3)16(18(20)22)15-10-8-7-9-11-15/h7-11,13H,6,12H2,1-5H3.
What are the key properties of 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 315.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-3-oxohexan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).