tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate

C34H36F6N4O5 — CID 169136827

About tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate

tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate (PubChem CID 169136827) has the molecular formula C34H36F6N4O5 and a molecular weight of 694.67 g/mol. Its IUPAC name is tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate
• PubChem CID: 169136827
• Molecular Formula: C34H36F6N4O5
• Molecular Weight: 694.67 g/mol
• Exact Mass: 694.26
• IUPAC Name: tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate
• SMILES: C=CCCC1(C(=O)c2nc(-c3nnc([C@@](CC=C)(OCc4ccccc4)C(F)(F)F)o3)c(NC(=O)OC(C)(C)C)cc2C(F)(F)F)CCC1
• InChI: InChI=1S/C34H36F6N4O5/c1-6-8-16-31(17-12-18-31)26(45)24-22(33(35,36)37)19-23(41-29(46)49-30(3,4)5)25(42-24)27-43-44-28(48-27)32(15-7-2,34(38,39)40)47-20-21-13-10-9-11-14-21/h6-7,9-11,13-14,19H,1-2,8,12,15-18,20H2,3-5H3,(H,41,46)/t32-/m1/s1
• InChIKey: NAPQOWXCAHTRAO-JGCGQSQUSA-N
• XLogP: 9.37
• TPSA: 116.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.67
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate?

The IUPAC name of tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate (CID 169136827) is tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate.

What is the SMILES notation for tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate?

The canonical SMILES for tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate is C=CCCC1(C(=O)c2nc(-c3nnc([C@@](CC=C)(OCc4ccccc4)C(F)(F)F)o3)c(NC(=O)OC(C)(C)C)cc2C(F)(F)F)CCC1.

What is the InChIKey of tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate?

The InChIKey is NAPQOWXCAHTRAO-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H36F6N4O5/c1-6-8-16-31(17-12-18-31)26(45)24-22(33(35,36)37)19-23(41-29(46)49-30(3,4)5)25(42-24)27-43-44-28(48-27)32(15-7-2,34(38,39)40)47-20-21-13-10-9-11-14-21/h6-7,9-11,13-14,19H,1-2,8,12,15-18,20H2,3-5H3,(H,41,46)/t32-/m1/s1.

What are the key properties of tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate?

tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate has a molecular weight of 694.67 g/mol, XLogP of 9.37, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 169136827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).