(4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

C14H17NO2 — CID 135044266

IUPAC(4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)C[C@@H]1CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C14H17NO2/c1-10(2)8-12-9-13(16)17-14(15-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyOGAOIYBIDPLUOF-GFCCVEGCSA-N
MW231.29 g/mol
LogP2.79
Rot. Bonds3

About (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

(4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 135044266) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name(4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID135044266
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)C[C@@H]1CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C14H17NO2/c1-10(2)8-12-9-13(16)17-14(15-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyOGAOIYBIDPLUOF-GFCCVEGCSA-N
XLogP2.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (CID 135044266) is (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is CC(C)C[C@@H]1CC(=O)OC(c2ccccc2)=N1.
What is the InChIKey of (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is OGAOIYBIDPLUOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)8-12-9-13(16)17-14(15-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
(4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 231.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 135044266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).