3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

C34H23F3N4O2 — CID 139231971

About 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139231971) has the molecular formula C34H23F3N4O2 and a molecular weight of 576.58 g/mol. Its IUPAC name is 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
• PubChem CID: 139231971
• Molecular Formula: C34H23F3N4O2
• Molecular Weight: 576.58 g/mol
• Exact Mass: 576.18
• IUPAC Name: 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
• SMILES: O=c1n(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c2n1Cc1cc(-c2ccc3ccccc3c2)no1
• InChI: InChI=1S/C34H23F3N4O2/c35-34(36,37)28-19-29(24-12-5-2-6-13-24)38-32-31(28)40(33(42)41(32)20-22-9-3-1-4-10-22)21-27-18-30(39-43-27)26-16-15-23-11-7-8-14-25(23)17-26/h1-19H,20-21H2
• InChIKey: KENLVGFKEAQBJD-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 65.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.58
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (CID 139231971) is 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is O=c1n(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c2n1Cc1cc(-c2ccc3ccccc3c2)no1.

What is the InChIKey of 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?

The InChIKey is KENLVGFKEAQBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23F3N4O2/c35-34(36,37)28-19-29(24-12-5-2-6-13-24)38-32-31(28)40(33(42)41(32)20-22-9-3-1-4-10-22)21-27-18-30(39-43-27)26-16-15-23-11-7-8-14-25(23)17-26/h1-19H,20-21H2.

What are the key properties of 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?

3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 576.58 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139231971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).