(6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one

C29H34N2O4 — CID 67185356

IUPAC(6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCn1ccc(-c2ccc(CCCN3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O
InChIInChI=1S/C29H34N2O4/c1-28(2,34)21-29(25-9-5-4-6-10-25)16-19-31(27(33)35-29)17-7-8-22-11-13-23(14-12-22)24-15-18-30(3)26(32)20-24/h4-6,9-15,18,20,34H,7-8,16-17,19,21H2,1-3H3/t29-/m0/s1
InChIKeyUWSFNCJFEGHTFY-LJAQVGFWSA-N
MW474.60 g/mol
LogP4.88
Rot. Bonds8

About (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one

(6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one (PubChem CID 67185356) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one
PubChem CID67185356
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name(6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCn1ccc(-c2ccc(CCCN3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O
InChIInChI=1S/C29H34N2O4/c1-28(2,34)21-29(25-9-5-4-6-10-25)16-19-31(27(33)35-29)17-7-8-22-11-13-23(14-12-22)24-15-18-30(3)26(32)20-24/h4-6,9-15,18,20,34H,7-8,16-17,19,21H2,1-3H3/t29-/m0/s1
InChIKeyUWSFNCJFEGHTFY-LJAQVGFWSA-N
XLogP4.88
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one (CID 67185356) is (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one is Cn1ccc(-c2ccc(CCCN3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O.
What is the InChIKey of (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is UWSFNCJFEGHTFY-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-28(2,34)21-29(25-9-5-4-6-10-25)16-19-31(27(33)35-29)17-7-8-22-11-13-23(14-12-22)24-15-18-30(3)26(32)20-24/h4-6,9-15,18,20,34H,7-8,16-17,19,21H2,1-3H3/t29-/m0/s1.
What are the key properties of (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one?
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 474.60 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-hydroxy-2-methylpropyl)-3-[3-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 67185356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).