2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole

C15H9N3OS — CID 141125691

IUPAC2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole
SMILESc1ccc2nc(-c3nc(-c4ncco4)cs3)ccc2c1
InChIInChI=1S/C15H9N3OS/c1-2-4-11-10(3-1)5-6-12(17-11)15-18-13(9-20-15)14-16-7-8-19-14/h1-9H
InChIKeySVEKFDLNHXPHQK-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.01
Rot. Bonds2

About 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole

2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole (PubChem CID 141125691) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole
PubChem CID141125691
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC Name2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole
SMILESc1ccc2nc(-c3nc(-c4ncco4)cs3)ccc2c1
InChIInChI=1S/C15H9N3OS/c1-2-4-11-10(3-1)5-6-12(17-11)15-18-13(9-20-15)14-16-7-8-19-14/h1-9H
InChIKeySVEKFDLNHXPHQK-UHFFFAOYSA-N
XLogP4.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole?
The IUPAC name of 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole (CID 141125691) is 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole is c1ccc2nc(-c3nc(-c4ncco4)cs3)ccc2c1.
What is the InChIKey of 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole?
The InChIKey is SVEKFDLNHXPHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c1-2-4-11-10(3-1)5-6-12(17-11)15-18-13(9-20-15)14-16-7-8-19-14/h1-9H.
What are the key properties of 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole?
2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole has a molecular weight of 279.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 141125691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).