2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C22H16N4O2S — CID 1261878

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C22H16N4O2S/c27-19(14-29-22-23-16-10-4-5-11-17(16)28-22)25-21-20(15-8-2-1-3-9-15)24-18-12-6-7-13-26(18)21/h1-13H,14H2,(H,25,27)
InChIKeyGAWGCHICAOXSNO-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.87
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 1261878) has the molecular formula C22H16N4O2S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID1261878
Molecular FormulaC22H16N4O2S
Molecular Weight400.46 g/mol
Exact Mass400.10
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C22H16N4O2S/c27-19(14-29-22-23-16-10-4-5-11-17(16)28-22)25-21-20(15-8-2-1-3-9-15)24-18-12-6-7-13-26(18)21/h1-13H,14H2,(H,25,27)
InChIKeyGAWGCHICAOXSNO-UHFFFAOYSA-N
XLogP4.87
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
CID 2336959
N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylsulfanylacetamide
CID 42693934
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]acetamide
CID 46855155
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 134050030
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979352
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)butanamide
CID 55387623
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 55387670
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-phenylbenzohydrazide
CID 9471511
(2S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822444
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
CID 12706412

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 1261878) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is GAWGCHICAOXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S/c27-19(14-29-22-23-16-10-4-5-11-17(16)28-22)25-21-20(15-8-2-1-3-9-15)24-18-12-6-7-13-26(18)21/h1-13H,14H2,(H,25,27).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 1261878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).