6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

C24H22F2N8O2 — CID 162722392

About 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 162722392) has the molecular formula C24H22F2N8O2 and a molecular weight of 492.49 g/mol. Its IUPAC name is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

• Compound Name: 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
• PubChem CID: 162722392
• Molecular Formula: C24H22F2N8O2
• Molecular Weight: 492.49 g/mol
• Exact Mass: 492.18
• IUPAC Name: 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
• SMILES: O=C1Nc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)cc2NC12CCCCC2
• InChI: InChI=1S/C24H22F2N8O2/c25-19(26)22-31-30-21(36-22)15-6-4-14(5-7-15)13-34-32-20(29-33-34)16-8-9-17-18(12-16)28-24(23(35)27-17)10-2-1-3-11-24/h4-9,12,19,28H,1-3,10-11,13H2,(H,27,35)
• InChIKey: LFDFPOHBHQSREL-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 123.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.49
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?

The IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (CID 162722392) is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.

What is the SMILES notation for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?

The canonical SMILES for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is O=C1Nc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)cc2NC12CCCCC2.

What is the InChIKey of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?

The InChIKey is LFDFPOHBHQSREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O2/c25-19(26)22-31-30-21(36-22)15-6-4-14(5-7-15)13-34-32-20(29-33-34)16-8-9-17-18(12-16)28-24(23(35)27-17)10-2-1-3-11-24/h4-9,12,19,28H,1-3,10-11,13H2,(H,27,35).

What are the key properties of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 492.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 162722392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).