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

C15H10ClN3OS — CID 914513

IUPAC2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1c(CSc2nc3ccccc3o2)nc2ccccn12
InChIInChI=1S/C15H10ClN3OS/c16-14-11(17-13-7-3-4-8-19(13)14)9-21-15-18-10-5-1-2-6-12(10)20-15/h1-8H,9H2
InChIKeyKJHWKDQUKVWXNT-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.42
Rot. Bonds3

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

2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 914513) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID914513
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1c(CSc2nc3ccccc3o2)nc2ccccn12
InChIInChI=1S/C15H10ClN3OS/c16-14-11(17-13-7-3-4-8-19(13)14)9-21-15-18-10-5-1-2-6-12(10)20-15/h1-8H,9H2
InChIKeyKJHWKDQUKVWXNT-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-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole (CID 914513) is 2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole is Clc1c(CSc2nc3ccccc3o2)nc2ccccn12.
What is the InChIKey of 2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is KJHWKDQUKVWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-14-11(17-13-7-3-4-8-19(13)14)9-21-15-18-10-5-1-2-6-12(10)20-15/h1-8H,9H2.
What are the key properties of 2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
2-[(3-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-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 914513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).