2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine

C18H17NO2 — CID 164853221

IUPAC2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine
SMILESC1=NC(c2ccccc2)OC(COCc2ccccc2)=C1
InChIInChI=1S/C18H17NO2/c1-3-7-15(8-4-1)13-20-14-17-11-12-19-18(21-17)16-9-5-2-6-10-16/h1-12,18H,13-14H2
InChIKeyVRUOIAGMWGIYJA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.89
Rot. Bonds5

About 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine

2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine (PubChem CID 164853221) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine.

Molecular Properties

Compound Name2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine
PubChem CID164853221
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine
SMILESC1=NC(c2ccccc2)OC(COCc2ccccc2)=C1
InChIInChI=1S/C18H17NO2/c1-3-7-15(8-4-1)13-20-14-17-11-12-19-18(21-17)16-9-5-2-6-10-16/h1-12,18H,13-14H2
InChIKeyVRUOIAGMWGIYJA-UHFFFAOYSA-N
XLogP3.89
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine?
The IUPAC name of 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine (CID 164853221) is 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine.
What is the SMILES notation for 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine?
The canonical SMILES for 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine is C1=NC(c2ccccc2)OC(COCc2ccccc2)=C1.
What is the InChIKey of 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine?
The InChIKey is VRUOIAGMWGIYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-7-15(8-4-1)13-20-14-17-11-12-19-18(21-17)16-9-5-2-6-10-16/h1-12,18H,13-14H2.
What are the key properties of 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine?
2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine has a molecular weight of 279.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine is sourced from PubChem (CID 164853221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).