6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one

C23H20ClNO2 — CID 25182420

IUPAC6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
SMILESCC1(c2cccc(Cl)c2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C23H20ClNO2/c1-23(19-10-6-11-20(24)16-19)13-14-25(22(26)27-23)21-12-5-9-18(15-21)17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3
InChIKeyKGJLDEILXUOVAN-UHFFFAOYSA-N
MW377.87 g/mol
LogP6.27
Rot. Bonds3

About 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one

6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one (PubChem CID 25182420) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
PubChem CID25182420
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Name6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
SMILESCC1(c2cccc(Cl)c2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C23H20ClNO2/c1-23(19-10-6-11-20(24)16-19)13-14-25(22(26)27-23)21-12-5-9-18(15-21)17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3
InChIKeyKGJLDEILXUOVAN-UHFFFAOYSA-N
XLogP6.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-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 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one (CID 25182420) is 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one is CC1(c2cccc(Cl)c2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1.
What is the InChIKey of 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one?
The InChIKey is KGJLDEILXUOVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-23(19-10-6-11-20(24)16-19)13-14-25(22(26)27-23)21-12-5-9-18(15-21)17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one?
6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one has a molecular weight of 377.87 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 25182420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).