tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol

C73H90F12N8O15 — CID 163922010

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol (PubChem CID 163922010) has the molecular formula C73H90F12N8O15 and a molecular weight of 1547.54 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol.

Molecular Properties

• Compound Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol
• PubChem CID: 163922010
• Molecular Formula: C73H90F12N8O15
• Molecular Weight: 1547.54 g/mol
• Exact Mass: 1546.63
• IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol
• SMILES: C.C=CCC[C@@](OCc1ccccc1)(c1nnc(-c2[nH]c(=O)c(C(F)(F)F)cc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1)C(F)(F)F.C=CCC[C@@](OCc1ccccc1)(c1nnc(-c2nc(O[C@H](C)CC=C)c(C(F)(F)F)cc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1)C(F)(F)F.C=CC[C@H](C)O
• InChI: InChI=1S/C36H42F6N4O7.C31H34F6N4O7.C5H10O.CH4/c1-10-12-19-34(36(40,41)42,49-21-23-17-14-13-15-18-23)29-45-44-28(51-29)26-25(20-24(35(37,38)39)27(43-26)50-22(3)16-11-2)46(30(47)52-32(4,5)6)31(48)53-33(7,8)9;1-8-9-15-29(31(35,36)37,45-17-18-13-11-10-12-14-18)24-40-39-23(46-24)21-20(16-19(22(42)38-21)30(32,33)34)41(25(43)47-27(2,3)4)26(44)48-28(5,6)7;1-3-4-5(2)6;/h10-11,13-15,17-18,20,22H,1-2,12,16,19,21H2,3-9H3;8,10-14,16H,1,9,15,17H2,2-7H3,(H,38,42);3,5-6H,1,4H2,2H3;1H4/t22-,34-;29-;5-;/m110./s1
• InChIKey: RBEZLCARWKMKDK-DGJKSBBPSA-N
• XLogP: 19.75
• TPSA: 283.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1547.54
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol?

The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol (CID 163922010) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol.

What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol?

The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol is C.C=CCC[C@@](OCc1ccccc1)(c1nnc(-c2[nH]c(=O)c(C(F)(F)F)cc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1)C(F)(F)F.C=CCC[C@@](OCc1ccccc1)(c1nnc(-c2nc(O[C@H](C)CC=C)c(C(F)(F)F)cc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1)C(F)(F)F.C=CC[C@H](C)O.

What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol?

The InChIKey is RBEZLCARWKMKDK-DGJKSBBPSA-N. The full InChI is InChI=1S/C36H42F6N4O7.C31H34F6N4O7.C5H10O.CH4/c1-10-12-19-34(36(40,41)42,49-21-23-17-14-13-15-18-23)29-45-44-28(51-29)26-25(20-24(35(37,38)39)27(43-26)50-22(3)16-11-2)46(30(47)52-32(4,5)6)31(48)53-33(7,8)9;1-8-9-15-29(31(35,36)37,45-17-18-13-11-10-12-14-18)24-40-39-23(46-24)21-20(16-19(22(42)38-21)30(32,33)34)41(25(43)47-27(2,3)4)26(44)48-28(5,6)7;1-3-4-5(2)6;/h10-11,13-15,17-18,20,22H,1-2,12,16,19,21H2,3-9H3;8,10-14,16H,1,9,15,17H2,2-7H3,(H,38,42);3,5-6H,1,4H2,2H3;1H4/t22-,34-;29-;5-;/m110./s1.

What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol?

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol has a molecular weight of 1547.54 g/mol, XLogP of 19.75, 24 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-oxo-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[(2R)-pent-4-en-2-yl]oxy-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;methane;(2S)-pent-4-en-2-ol is sourced from PubChem (CID 163922010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).