phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone

C17H17NO2 — CID 653321

IUPACphenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone
SMILESO=C(c1ccccc1)N1CCCOC1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-16(14-8-3-1-4-9-14)18-12-7-13-20-17(18)15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2
InChIKeyGHIKPWKHIXYSRF-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.25
Rot. Bonds2

About phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone

phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone (PubChem CID 653321) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone
PubChem CID653321
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namephenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone
SMILESO=C(c1ccccc1)N1CCCOC1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-16(14-8-3-1-4-9-14)18-12-7-13-20-17(18)15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2
InChIKeyGHIKPWKHIXYSRF-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone?
The IUPAC name of phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone (CID 653321) is phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone?
The canonical SMILES for phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone is O=C(c1ccccc1)N1CCCOC1c1ccccc1.
What is the InChIKey of phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone?
The InChIKey is GHIKPWKHIXYSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(14-8-3-1-4-9-14)18-12-7-13-20-17(18)15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2.
What are the key properties of phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone?
phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 653321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).