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

C17H11N3OS — CID 173114407

IUPAC5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole
SMILESc1ccc(-c2csc(-c3ccccc3-c3cnno3)n2)cc1
InChIInChI=1S/C17H11N3OS/c1-2-6-12(7-3-1)15-11-22-17(19-15)14-9-5-4-8-13(14)16-10-18-20-21-16/h1-11H
InChIKeyADMSZCIGOOJFAZ-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.53
Rot. Bonds3

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

5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole (PubChem CID 173114407) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole.

Molecular Properties

Compound Name5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole
PubChem CID173114407
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole
SMILESc1ccc(-c2csc(-c3ccccc3-c3cnno3)n2)cc1
InChIInChI=1S/C17H11N3OS/c1-2-6-12(7-3-1)15-11-22-17(19-15)14-9-5-4-8-13(14)16-10-18-20-21-16/h1-11H
InChIKeyADMSZCIGOOJFAZ-UHFFFAOYSA-N
XLogP4.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole?
The IUPAC name of 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole (CID 173114407) is 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole.
What is the SMILES notation for 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole?
The canonical SMILES for 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole is c1ccc(-c2csc(-c3ccccc3-c3cnno3)n2)cc1.
What is the InChIKey of 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole?
The InChIKey is ADMSZCIGOOJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c1-2-6-12(7-3-1)15-11-22-17(19-15)14-9-5-4-8-13(14)16-10-18-20-21-16/h1-11H.
What are the key properties of 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole?
5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole has a molecular weight of 305.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]oxadiazole is sourced from PubChem (CID 173114407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).