1-adamantyl(1,3-oxazinan-3-yl)methanone

C15H23NO2 — CID 110739642

IUPAC1-adamantyl(1,3-oxazinan-3-yl)methanone
SMILESO=C(N1CCCOC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO2/c17-14(16-2-1-3-18-10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,1-10H2
InChIKeyPXDSOKHOWROWJT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.41
Rot. Bonds1

About 1-adamantyl(1,3-oxazinan-3-yl)methanone

1-adamantyl(1,3-oxazinan-3-yl)methanone (PubChem CID 110739642) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-adamantyl(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(1,3-oxazinan-3-yl)methanone
PubChem CID110739642
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-adamantyl(1,3-oxazinan-3-yl)methanone
SMILESO=C(N1CCCOC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO2/c17-14(16-2-1-3-18-10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,1-10H2
InChIKeyPXDSOKHOWROWJT-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1,3-oxazinan-3-yl)methanone?
The IUPAC name of 1-adamantyl(1,3-oxazinan-3-yl)methanone (CID 110739642) is 1-adamantyl(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for 1-adamantyl(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for 1-adamantyl(1,3-oxazinan-3-yl)methanone is O=C(N1CCCOC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(1,3-oxazinan-3-yl)methanone?
The InChIKey is PXDSOKHOWROWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-14(16-2-1-3-18-10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,1-10H2.
What are the key properties of 1-adamantyl(1,3-oxazinan-3-yl)methanone?
1-adamantyl(1,3-oxazinan-3-yl)methanone has a molecular weight of 249.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 110739642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).