2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C30H34N2O — CID 91073470

IUPAC2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2COC(CC3CCN(CCC(c4ccccc4)c4ccccc4)CC3)=N2)cc1
InChIInChI=1S/C30H34N2O/c1-4-10-25(11-5-1)28(26-12-6-2-7-13-26)18-21-32-19-16-24(17-20-32)22-30-31-29(23-33-30)27-14-8-3-9-15-27/h1-15,24,28-29H,16-23H2
InChIKeyOXXZBSZMCRHVSG-UHFFFAOYSA-N
MW438.62 g/mol
LogP6.48
Rot. Bonds8

About 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 91073470) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID91073470
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2COC(CC3CCN(CCC(c4ccccc4)c4ccccc4)CC3)=N2)cc1
InChIInChI=1S/C30H34N2O/c1-4-10-25(11-5-1)28(26-12-6-2-7-13-26)18-21-32-19-16-24(17-20-32)22-30-31-29(23-33-30)27-14-8-3-9-15-27/h1-15,24,28-29H,16-23H2
InChIKeyOXXZBSZMCRHVSG-UHFFFAOYSA-N
XLogP6.48
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole 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 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 91073470) is 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is c1ccc(C2COC(CC3CCN(CCC(c4ccccc4)c4ccccc4)CC3)=N2)cc1.
What is the InChIKey of 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is OXXZBSZMCRHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O/c1-4-10-25(11-5-1)28(26-12-6-2-7-13-26)18-21-32-19-16-24(17-20-32)22-30-31-29(23-33-30)27-14-8-3-9-15-27/h1-15,24,28-29H,16-23H2.
What are the key properties of 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 438.62 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91073470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).