2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole

C16H13N3OS — CID 15945744

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESCc1cccc2nc(CSc3nc4ccccc4o3)cn12
InChIInChI=1S/C16H13N3OS/c1-11-5-4-8-15-17-12(9-19(11)15)10-21-16-18-13-6-2-3-7-14(13)20-16/h2-9H,10H2,1H3
InChIKeyZVDHPXUNUSZACG-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.08
Rot. Bonds3

About 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 15945744) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID15945744
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESCc1cccc2nc(CSc3nc4ccccc4o3)cn12
InChIInChI=1S/C16H13N3OS/c1-11-5-4-8-15-17-12(9-19(11)15)10-21-16-18-13-6-2-3-7-14(13)20-16/h2-9H,10H2,1H3
InChIKeyZVDHPXUNUSZACG-UHFFFAOYSA-N
XLogP4.08
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole
CID 395772
Vas-2870
CID 4058452
7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione
CID 662941
2-((Imidazo[1,2-a]pyridin-2-ylmethyl)thio)benzo[d]oxazole
CID 716574
2-[(5-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
CID 2133717
US11518767, Example 4
CID 142608603
7-[3-(Benzooxazol-2-ylsulfanyl)-propyl]-3-methyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione
CID 647184
2-[3-(2-Methoxy-phenyl)-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 653778
7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
CID 658118
2-(((6-Chloroimidazo[1,2-a]pyridin-2-yl)methyl)thio)benzo[d]oxazole
CID 658360
2-[(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
CID 658403
7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-8-bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 661996

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole (CID 15945744) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole is Cc1cccc2nc(CSc3nc4ccccc4o3)cn12.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is ZVDHPXUNUSZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11-5-4-8-15-17-12(9-19(11)15)10-21-16-18-13-6-2-3-7-14(13)20-16/h2-9H,10H2,1H3.
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 295.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 15945744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).