2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

C18H13N3OS — CID 139238024

IUPAC2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(Cc3csc(-c4ccccc4)n3)o2)cc1
InChIInChI=1S/C18H13N3OS/c1-3-7-13(8-4-1)17-21-20-16(22-17)11-15-12-23-18(19-15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyUECVWOFMUHJBFA-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.45
Rot. Bonds4

About 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 139238024) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID139238024
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(Cc3csc(-c4ccccc4)n3)o2)cc1
InChIInChI=1S/C18H13N3OS/c1-3-7-13(8-4-1)17-21-20-16(22-17)11-15-12-23-18(19-15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyUECVWOFMUHJBFA-UHFFFAOYSA-N
XLogP4.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole 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-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (CID 139238024) is 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(Cc3csc(-c4ccccc4)n3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is UECVWOFMUHJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-3-7-13(8-4-1)17-21-20-16(22-17)11-15-12-23-18(19-15)14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 319.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139238024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).