N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine

C27H27F9N8O — CID 58966597

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine (PubChem CID 58966597) has the molecular formula C27H27F9N8O and a molecular weight of 650.55 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
• PubChem CID: 58966597
• Molecular Formula: C27H27F9N8O
• Molecular Weight: 650.55 g/mol
• Exact Mass: 650.22
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
• SMILES: CCC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N(C)Cc1nnc(C)o1
• InChI: InChI=1S/C27H27F9N8O/c1-5-22(42(3)14-23-38-37-15(2)45-23)21-7-6-18(25(28,29)30)10-17(21)13-44(24-39-41-43(4)40-24)12-16-8-19(26(31,32)33)11-20(9-16)27(34,35)36/h6-11,22H,5,12-14H2,1-4H3
• InChIKey: PYHISGZTMWCUTE-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 89.00 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.55
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine (CID 58966597) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine is CCC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N(C)Cc1nnc(C)o1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?

The InChIKey is PYHISGZTMWCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F9N8O/c1-5-22(42(3)14-23-38-37-15(2)45-23)21-7-6-18(25(28,29)30)10-17(21)13-44(24-39-41-43(4)40-24)12-16-8-19(26(31,32)33)11-20(9-16)27(34,35)36/h6-11,22H,5,12-14H2,1-4H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine has a molecular weight of 650.55 g/mol, XLogP of 6.75, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 58966597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).