2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole

C15H10ClN3OS — CID 658360

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1ccc2nc(CSc3nc4ccccc4o3)cn2c1
InChIInChI=1S/C15H10ClN3OS/c16-10-5-6-14-17-11(8-19(14)7-10)9-21-15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2
InChIKeyICKUXQKEAADGEY-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.42
Rot. Bonds3

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 658360) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID658360
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1ccc2nc(CSc3nc4ccccc4o3)cn2c1
InChIInChI=1S/C15H10ClN3OS/c16-10-5-6-14-17-11(8-19(14)7-10)9-21-15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2
InChIKeyICKUXQKEAADGEY-UHFFFAOYSA-N
XLogP4.42
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole (CID 658360) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole is Clc1ccc2nc(CSc3nc4ccccc4o3)cn2c1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is ICKUXQKEAADGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-10-5-6-14-17-11(8-19(14)7-10)9-21-15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2.
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 315.79 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 658360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).