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

C30H23F3N4O2 — CID 139231966

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

1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139231966) has the molecular formula C30H23F3N4O2 and a molecular weight of 528.53 g/mol. Its IUPAC name is 1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
• PubChem CID: 139231966
• Molecular Formula: C30H23F3N4O2
• Molecular Weight: 528.53 g/mol
• Exact Mass: 528.18
• IUPAC Name: 1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
• SMILES: CCCn1c(=O)n(Cc2cc(-c3ccc4ccccc4c3)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C30H23F3N4O2/c1-2-14-36-28-27(24(30(31,32)33)17-25(34-28)20-9-4-3-5-10-20)37(29(36)38)18-23-16-26(35-39-23)22-13-12-19-8-6-7-11-21(19)15-22/h3-13,15-17H,2,14,18H2,1H3
• InChIKey: QCSNFKHUPBAQMV-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 65.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.53
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (CID 139231966) is 1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

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

The canonical SMILES for 1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is CCCn1c(=O)n(Cc2cc(-c3ccc4ccccc4c3)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21.

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

The InChIKey is QCSNFKHUPBAQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O2/c1-2-14-36-28-27(24(30(31,32)33)17-25(34-28)20-9-4-3-5-10-20)37(29(36)38)18-23-16-26(35-39-23)22-13-12-19-8-6-7-11-21(19)15-22/h3-13,15-17H,2,14,18H2,1H3.

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

1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 528.53 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139231966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).