N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C24H19N5O2 — CID 49046358

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)NCc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C24H19N5O2/c30-23(12-19-15-31-24(28-19)18-6-2-1-3-7-18)26-14-17-10-11-22(25-13-17)29-16-27-20-8-4-5-9-21(20)29/h1-11,13,15-16H,12,14H2,(H,26,30)
InChIKeyZXFAXPUOGXFYFZ-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.93
Rot. Bonds6

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 49046358) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID49046358
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)NCc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C24H19N5O2/c30-23(12-19-15-31-24(28-19)18-6-2-1-3-7-18)26-14-17-10-11-22(25-13-17)29-16-27-20-8-4-5-9-21(20)29/h1-11,13,15-16H,12,14H2,(H,26,30)
InChIKeyZXFAXPUOGXFYFZ-UHFFFAOYSA-N
XLogP3.93
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 49046358) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is O=C(Cc1coc(-c2ccccc2)n1)NCc1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is ZXFAXPUOGXFYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c30-23(12-19-15-31-24(28-19)18-6-2-1-3-7-18)26-14-17-10-11-22(25-13-17)29-16-27-20-8-4-5-9-21(20)29/h1-11,13,15-16H,12,14H2,(H,26,30).
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 409.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 49046358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).