2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole

C15H9Cl2N3OS — CID 52830012

IUPAC2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1cc(Cl)c2nc(CSc3nc4ccccc4o3)cn2c1
InChIInChI=1S/C15H9Cl2N3OS/c16-9-5-11(17)14-18-10(7-20(14)6-9)8-22-15-19-12-3-1-2-4-13(12)21-15/h1-7H,8H2
InChIKeyPSOKKZQAFDUIIF-UHFFFAOYSA-N
MW350.23 g/mol
LogP5.07
Rot. Bonds3

About 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole

2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 52830012) has the molecular formula C15H9Cl2N3OS and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID52830012
Molecular FormulaC15H9Cl2N3OS
Molecular Weight350.23 g/mol
Exact Mass348.98
IUPAC Name2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1cc(Cl)c2nc(CSc3nc4ccccc4o3)cn2c1
InChIInChI=1S/C15H9Cl2N3OS/c16-9-5-11(17)14-18-10(7-20(14)6-9)8-22-15-19-12-3-1-2-4-13(12)21-15/h1-7H,8H2
InChIKeyPSOKKZQAFDUIIF-UHFFFAOYSA-N
XLogP5.07
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.23
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 79583234
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole
CID 851419
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 39411765
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 33275835
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole
CID 47008823
2-[[1-(3,4-dimethylphenyl)triazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 90643682
2-[[1-(2-fluorophenyl)triazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 90643681
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
2-[(3-methylphenyl)methylsulfanyl]-1,3-benzoxazole
CID 4299873
6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine
CID 62886533
6,8-dichloro-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 60612411
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-chloro-2-hydroxyphenyl)ethanone
CID 10018875

Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole (CID 52830012) is 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole is Clc1cc(Cl)c2nc(CSc3nc4ccccc4o3)cn2c1.
What is the InChIKey of 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is PSOKKZQAFDUIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3OS/c16-9-5-11(17)14-18-10(7-20(14)6-9)8-22-15-19-12-3-1-2-4-13(12)21-15/h1-7H,8H2.
What are the key properties of 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 350.23 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 52830012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).