(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one

C17H17NO3 — CID 171185374

IUPAC(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2ccccc2OCc2ccccc2)CCO1
InChIInChI=1S/C17H17NO3/c19-17-18-15(10-11-20-17)14-8-4-5-9-16(14)21-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,18,19)/t15-/m1/s1
InChIKeyZSWXQDWMBHXSGY-OAHLLOKOSA-N
MW283.33 g/mol
LogP3.44
Rot. Bonds4

About (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one

(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one (PubChem CID 171185374) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
PubChem CID171185374
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2ccccc2OCc2ccccc2)CCO1
InChIInChI=1S/C17H17NO3/c19-17-18-15(10-11-20-17)14-8-4-5-9-16(14)21-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,18,19)/t15-/m1/s1
InChIKeyZSWXQDWMBHXSGY-OAHLLOKOSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one (CID 171185374) is (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one is O=C1N[C@@H](c2ccccc2OCc2ccccc2)CCO1.
What is the InChIKey of (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is ZSWXQDWMBHXSGY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17-18-15(10-11-20-17)14-8-4-5-9-16(14)21-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one?
(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171185374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).