6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one

C17H21NO3 — CID 54082212

IUPAC6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESCCC(=O)C(C)CN1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H21NO3/c1-4-15(19)12(2)10-18-11-21-13(3)16(17(18)20)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3
InChIKeyMNXNMEHCRRCHTP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.85
Rot. Bonds5

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

6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 54082212) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID54082212
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESCCC(=O)C(C)CN1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H21NO3/c1-4-15(19)12(2)10-18-11-21-13(3)16(17(18)20)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3
InChIKeyMNXNMEHCRRCHTP-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one (CID 54082212) is 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one is CCC(=O)C(C)CN1COC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is MNXNMEHCRRCHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-15(19)12(2)10-18-11-21-13(3)16(17(18)20)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one?
6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 54082212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).