1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone

C19H14F2N6O2 — CID 162722285

About 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone

1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone (PubChem CID 162722285) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone
• PubChem CID: 162722285
• Molecular Formula: C19H14F2N6O2
• Molecular Weight: 396.36 g/mol
• Exact Mass: 396.11
• IUPAC Name: 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone
• SMILES: CC(=O)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1
• InChI: InChI=1S/C19H14F2N6O2/c1-11(28)14-3-2-4-15(9-14)17-22-26-27(25-17)10-12-5-7-13(8-6-12)18-23-24-19(29-18)16(20)21/h2-9,16H,10H2,1H3
• InChIKey: JPNYFYBKPNPYEP-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 99.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.36
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone?

The IUPAC name of 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone (CID 162722285) is 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone.

What is the SMILES notation for 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone?

The canonical SMILES for 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone is CC(=O)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1.

What is the InChIKey of 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone?

The InChIKey is JPNYFYBKPNPYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c1-11(28)14-3-2-4-15(9-14)17-22-26-27(25-17)10-12-5-7-13(8-6-12)18-23-24-19(29-18)16(20)21/h2-9,16H,10H2,1H3.

What are the key properties of 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone?

1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone has a molecular weight of 396.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 162722285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).