2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone

C18H22N2O2 — CID 167926677

IUPAC2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCOc2ccncc21
InChIInChI=1S/C18H22N2O2/c21-18(20-3-4-22-16-1-2-19-10-15(16)20)17-13-6-11-5-12(8-13)9-14(17)7-11/h1-2,10-14,17H,3-9H2
InChIKeyZJSMXRRVLOCXQT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.88
Rot. Bonds1

About 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone

2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone (PubChem CID 167926677) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone.

Molecular Properties

Compound Name2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
PubChem CID167926677
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCOc2ccncc21
InChIInChI=1S/C18H22N2O2/c21-18(20-3-4-22-16-1-2-19-10-15(16)20)17-13-6-11-5-12(8-13)9-14(17)7-11/h1-2,10-14,17H,3-9H2
InChIKeyZJSMXRRVLOCXQT-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone?
The IUPAC name of 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone (CID 167926677) is 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone.
What is the SMILES notation for 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone?
The canonical SMILES for 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone is O=C(C1C2CC3CC(C2)CC1C3)N1CCOc2ccncc21.
What is the InChIKey of 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone?
The InChIKey is ZJSMXRRVLOCXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(20-3-4-22-16-1-2-19-10-15(16)20)17-13-6-11-5-12(8-13)9-14(17)7-11/h1-2,10-14,17H,3-9H2.
What are the key properties of 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone?
2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone is sourced from PubChem (CID 167926677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).