tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate

C32H30F3N7O5 — CID 164936661

About tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate (PubChem CID 164936661) has the molecular formula C32H30F3N7O5 and a molecular weight of 649.63 g/mol. Its IUPAC name is tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate
• PubChem CID: 164936661
• Molecular Formula: C32H30F3N7O5
• Molecular Weight: 649.63 g/mol
• Exact Mass: 649.23
• IUPAC Name: tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate
• SMILES: Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21
• InChI: InChI=1S/C32H30F3N7O5/c1-31(2,3)46-30(44)42-13-11-41(12-14-42)29(43)25-15-20-7-10-22(16-24(20)40(25)4)45-26-18-36-23(17-37-26)28-38-27(39-47-28)19-5-8-21(9-6-19)32(33,34)35/h5-10,15-18H,11-14H2,1-4H3
• InChIKey: DUHOUZZTISRRQG-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 128.71 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.63
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate (CID 164936661) is tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate is Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21.

What is the InChIKey of tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate?

The InChIKey is DUHOUZZTISRRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N7O5/c1-31(2,3)46-30(44)42-13-11-41(12-14-42)29(43)25-15-20-7-10-22(16-24(20)40(25)4)45-26-18-36-23(17-37-26)28-38-27(39-47-28)19-5-8-21(9-6-19)32(33,34)35/h5-10,15-18H,11-14H2,1-4H3.

What are the key properties of tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate?

tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 649.63 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 164936661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).