tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

C94H86F7N13O18 — CID 160925259

About tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (PubChem CID 160925259) has the molecular formula C94H86F7N13O18 and a molecular weight of 1818.78 g/mol. Its IUPAC name is tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• PubChem CID: 160925259
• Molecular Formula: C94H86F7N13O18
• Molecular Weight: 1818.78 g/mol
• Exact Mass: 1817.61
• IUPAC Name: tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• SMILES: CC(C)(C)OC(=O)N1CCC(OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)CC1.CC(C)C(C)OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CC(C)CC(C)OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CC(OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C26H27FN4O6.C25H17F4N3O4.C22H22FN3O4.C21H20FN3O4/c1-26(2,3)36-25(34)31-13-11-18(12-14-31)35-24(33)29-22(32)17-8-6-7-16(15-17)21-28-23(37-30-21)19-9-4-5-10-20(19)27;1-14(15-9-11-18(12-10-15)25(27,28)29)35-24(34)31-22(33)17-6-4-5-16(13-17)21-30-23(36-32-21)19-7-2-3-8-20(19)26;1-13(2)11-14(3)29-22(28)25-20(27)16-8-6-7-15(12-16)19-24-21(30-26-19)17-9-4-5-10-18(17)23;1-12(2)13(3)28-21(27)24-19(26)15-8-6-7-14(11-15)18-23-20(29-25-18)16-9-4-5-10-17(16)22/h4-10,15,18H,11-14H2,1-3H3,(H,29,32,33);2-14H,1H3,(H,31,33,34);4-10,12-14H,11H2,1-3H3,(H,25,27,28);4-13H,1-3H3,(H,24,26,27)
• InChIKey: SSNZYVCICGKEPZ-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 406.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.78
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The IUPAC name of tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (CID 160925259) is tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

What is the SMILES notation for tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The canonical SMILES for tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is CC(C)(C)OC(=O)N1CCC(OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)CC1.CC(C)C(C)OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CC(C)CC(C)OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CC(OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The InChIKey is SSNZYVCICGKEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O6.C25H17F4N3O4.C22H22FN3O4.C21H20FN3O4/c1-26(2,3)36-25(34)31-13-11-18(12-14-31)35-24(33)29-22(32)17-8-6-7-16(15-17)21-28-23(37-30-21)19-9-4-5-10-20(19)27;1-14(15-9-11-18(12-10-15)25(27,28)29)35-24(34)31-22(33)17-6-4-5-16(13-17)21-30-23(36-32-21)19-7-2-3-8-20(19)26;1-13(2)11-14(3)29-22(28)25-20(27)16-8-6-7-15(12-16)19-24-21(30-26-19)17-9-4-5-10-18(17)23;1-12(2)13(3)28-21(27)24-19(26)15-8-6-7-14(11-15)18-23-20(29-25-18)16-9-4-5-10-17(16)22/h4-10,15,18H,11-14H2,1-3H3,(H,29,32,33);2-14H,1H3,(H,31,33,34);4-10,12-14H,11H2,1-3H3,(H,25,27,28);4-13H,1-3H3,(H,24,26,27).

What are the key properties of tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate has a molecular weight of 1818.78 g/mol, XLogP of 20.30, 20 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamoyloxy]piperidine-1-carboxylate;3-methylbutan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;4-methylpentan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is sourced from PubChem (CID 160925259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).