5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole

C17H17N3OS — CID 68744125

IUPAC5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESc1ccc(-c2cc(-c3csc(C4CCNCC4)n3)no2)cc1
InChIInChI=1S/C17H17N3OS/c1-2-4-12(5-3-1)16-10-14(20-21-16)15-11-22-17(19-15)13-6-8-18-9-7-13/h1-5,10-11,13,18H,6-9H2
InChIKeyNPJQQHKCOSKJLQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.93
Rot. Bonds3

About 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole

5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 68744125) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID68744125
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESc1ccc(-c2cc(-c3csc(C4CCNCC4)n3)no2)cc1
InChIInChI=1S/C17H17N3OS/c1-2-4-12(5-3-1)16-10-14(20-21-16)15-11-22-17(19-15)13-6-8-18-9-7-13/h1-5,10-11,13,18H,6-9H2
InChIKeyNPJQQHKCOSKJLQ-UHFFFAOYSA-N
XLogP3.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-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 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole (CID 68744125) is 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole is c1ccc(-c2cc(-c3csc(C4CCNCC4)n3)no2)cc1.
What is the InChIKey of 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is NPJQQHKCOSKJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-4-12(5-3-1)16-10-14(20-21-16)15-11-22-17(19-15)13-6-8-18-9-7-13/h1-5,10-11,13,18H,6-9H2.
What are the key properties of 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole?
5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole has a molecular weight of 311.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 68744125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).