tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide

C43H49ClF10N8O12 — CID 175746323

About tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide

tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide (PubChem CID 175746323) has the molecular formula C43H49ClF10N8O12 and a molecular weight of 1095.34 g/mol. Its IUPAC name is tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
• PubChem CID: 175746323
• Molecular Formula: C43H49ClF10N8O12
• Molecular Weight: 1095.34 g/mol
• Exact Mass: 1094.30
• IUPAC Name: tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(Cl)cc2F)CC[C@@H]1c1nnc(OCCC(F)(F)F)o1.COc1cc(OCC(=O)N[C@H]2CC[C@H](c3nnc(OCCOC(F)(F)F)o3)NC2)ccc1C(F)(F)F
• InChI: InChI=1S/C23H27ClF4N4O6.C20H22F6N4O6/c1-22(2,3)38-21(34)32-11-14(29-18(33)12-36-17-7-4-13(24)10-15(17)25)5-6-16(32)19-30-31-20(37-19)35-9-8-23(26,27)28;1-32-15-8-12(3-4-13(15)19(21,22)23)34-10-16(31)28-11-2-5-14(27-9-11)17-29-30-18(36-17)33-6-7-35-20(24,25)26/h4,7,10,14,16H,5-6,8-9,11-12H2,1-3H3,(H,29,33);3-4,8,11,14,27H,2,5-7,9-10H2,1H3,(H,28,31)/t14-,16+;11-,14+/m00/s1
• InChIKey: UBCCEWZKZWNEPZ-WVTXRBSVSA-N
• XLogP: 7.83
• TPSA: 232.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1095.34
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The IUPAC name of tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide (CID 175746323) is tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide.

What is the SMILES notation for tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The canonical SMILES for tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide is CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(Cl)cc2F)CC[C@@H]1c1nnc(OCCC(F)(F)F)o1.COc1cc(OCC(=O)N[C@H]2CC[C@H](c3nnc(OCCOC(F)(F)F)o3)NC2)ccc1C(F)(F)F.

What is the InChIKey of tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The InChIKey is UBCCEWZKZWNEPZ-WVTXRBSVSA-N. The full InChI is InChI=1S/C23H27ClF4N4O6.C20H22F6N4O6/c1-22(2,3)38-21(34)32-11-14(29-18(33)12-36-17-7-4-13(24)10-15(17)25)5-6-16(32)19-30-31-20(37-19)35-9-8-23(26,27)28;1-32-15-8-12(3-4-13(15)19(21,22)23)34-10-16(31)28-11-2-5-14(27-9-11)17-29-30-18(36-17)33-6-7-35-20(24,25)26/h4,7,10,14,16H,5-6,8-9,11-12H2,1-3H3,(H,29,33);3-4,8,11,14,27H,2,5-7,9-10H2,1H3,(H,28,31)/t14-,16+;11-,14+/m00/s1.

What are the key properties of tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide has a molecular weight of 1095.34 g/mol, XLogP of 7.83, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 175746323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).