3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one

C25H23F3N6O4 — CID 171068493

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one (PubChem CID 171068493) has the molecular formula C25H23F3N6O4 and a molecular weight of 528.49 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one
• PubChem CID: 171068493
• Molecular Formula: C25H23F3N6O4
• Molecular Weight: 528.49 g/mol
• Exact Mass: 528.17
• IUPAC Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one
• SMILES: O=c1oc(-c2cccc(C3CCN(C4COC4)CC3)c2F)nn1Cc1ccc(-c2nnc(C(F)F)o2)cn1
• InChI: InChI=1S/C25H23F3N6O4/c26-20-18(14-6-8-33(9-7-14)17-12-36-13-17)2-1-3-19(20)23-32-34(25(35)38-23)11-16-5-4-15(10-29-16)22-30-31-24(37-22)21(27)28/h1-5,10,14,17,21H,6-9,11-13H2
• InChIKey: AWYGXUWUVSFZDZ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 112.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.49
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?

The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one (CID 171068493) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one.

What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?

The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccc(C3CCN(C4COC4)CC3)c2F)nn1Cc1ccc(-c2nnc(C(F)F)o2)cn1.

What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?

The InChIKey is AWYGXUWUVSFZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O4/c26-20-18(14-6-8-33(9-7-14)17-12-36-13-17)2-1-3-19(20)23-32-34(25(35)38-23)11-16-5-4-15(10-29-16)22-30-31-24(37-22)21(27)28/h1-5,10,14,17,21H,6-9,11-13H2.

What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one has a molecular weight of 528.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-[2-fluoro-3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 171068493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).