6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one

C12H13NO3 — CID 140987722

IUPAC6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one
SMILESCOCC1=C(c2ccccc2)C(=O)NCO1
InChIInChI=1S/C12H13NO3/c1-15-7-10-11(12(14)13-8-16-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyFPELSGJLPJPQLM-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.15
Rot. Bonds3

About 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one

6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one (PubChem CID 140987722) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one
PubChem CID140987722
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one
SMILESCOCC1=C(c2ccccc2)C(=O)NCO1
InChIInChI=1S/C12H13NO3/c1-15-7-10-11(12(14)13-8-16-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyFPELSGJLPJPQLM-UHFFFAOYSA-N
XLogP1.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one?
The IUPAC name of 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one (CID 140987722) is 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one.
What is the SMILES notation for 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one?
The canonical SMILES for 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one is COCC1=C(c2ccccc2)C(=O)NCO1.
What is the InChIKey of 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one?
The InChIKey is FPELSGJLPJPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-7-10-11(12(14)13-8-16-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14).
What are the key properties of 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one?
6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one has a molecular weight of 219.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one is sourced from PubChem (CID 140987722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).