1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone

C16H16N2O3 — CID 53317120

IUPAC1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
SMILESCC(=O)N1CCOc2nc(OCc3ccccc3)ccc21
InChIInChI=1S/C16H16N2O3/c1-12(19)18-9-10-20-16-14(18)7-8-15(17-16)21-11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeyPBUFKKDWSHXPKM-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.41
Rot. Bonds3

About 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone

1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone (PubChem CID 53317120) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
PubChem CID53317120
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
SMILESCC(=O)N1CCOc2nc(OCc3ccccc3)ccc21
InChIInChI=1S/C16H16N2O3/c1-12(19)18-9-10-20-16-14(18)7-8-15(17-16)21-11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeyPBUFKKDWSHXPKM-UHFFFAOYSA-N
XLogP2.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone?
The IUPAC name of 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone (CID 53317120) is 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone.
What is the SMILES notation for 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone?
The canonical SMILES for 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone is CC(=O)N1CCOc2nc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone?
The InChIKey is PBUFKKDWSHXPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(19)18-9-10-20-16-14(18)7-8-15(17-16)21-11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3.
What are the key properties of 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone?
1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone has a molecular weight of 284.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylmethoxy-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone is sourced from PubChem (CID 53317120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).