2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole

C17H11N3OS — CID 166445080

IUPAC2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3cccs3)c(-c3ccccn3)o2)nc1
InChIInChI=1S/C17H11N3OS/c1-3-9-18-12(6-1)16-15(14-8-5-11-22-14)20-17(21-16)13-7-2-4-10-19-13/h1-11H
InChIKeyRKNFNDUTEJSRDK-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.53
Rot. Bonds3

About 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole

2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole (PubChem CID 166445080) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole
PubChem CID166445080
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3cccs3)c(-c3ccccn3)o2)nc1
InChIInChI=1S/C17H11N3OS/c1-3-9-18-12(6-1)16-15(14-8-5-11-22-14)20-17(21-16)13-7-2-4-10-19-13/h1-11H
InChIKeyRKNFNDUTEJSRDK-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 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole (CID 166445080) is 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole is c1ccc(-c2nc(-c3cccs3)c(-c3ccccn3)o2)nc1.
What is the InChIKey of 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole?
The InChIKey is RKNFNDUTEJSRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c1-3-9-18-12(6-1)16-15(14-8-5-11-22-14)20-17(21-16)13-7-2-4-10-19-13/h1-11H.
What are the key properties of 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole?
2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole 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 2,5-dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 166445080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).