4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole

C23H26N2OS — CID 52948730

IUPAC4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole
SMILESc1ccc(-c2nc(SCCCN3CCCCC3)oc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N2OS/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)26-23(24-21)27-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
InChIKeyZHDFPVBHIMUBJO-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.98
Rot. Bonds7

About 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole

4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole (PubChem CID 52948730) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole
PubChem CID52948730
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole
SMILESc1ccc(-c2nc(SCCCN3CCCCC3)oc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N2OS/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)26-23(24-21)27-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
InChIKeyZHDFPVBHIMUBJO-UHFFFAOYSA-N
XLogP5.98
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-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 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole (CID 52948730) is 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole is c1ccc(-c2nc(SCCCN3CCCCC3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole?
The InChIKey is ZHDFPVBHIMUBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)26-23(24-21)27-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2.
What are the key properties of 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole?
4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole has a molecular weight of 378.54 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 52948730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).