2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide

C20H21ClF3N3O5 — CID 142528037

About 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide

2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide (PubChem CID 142528037) has the molecular formula C20H21ClF3N3O5 and a molecular weight of 475.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide
• PubChem CID: 142528037
• Molecular Formula: C20H21ClF3N3O5
• Molecular Weight: 475.85 g/mol
• Exact Mass: 475.11
• IUPAC Name: 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide
• SMILES: C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)C(CO)Oc1ccc(Cl)cc1
• InChI: InChI=1S/C20H21ClF3N3O5/c1-11(25-18(29)16(10-28)30-14-5-3-13(21)4-6-14)2-7-17-26-27-19(31-17)12-8-15(9-12)32-20(22,23)24/h3-6,12,15-16,28H,1-2,7-10H2,(H,25,29)
• InChIKey: MVVAIKASCVVZLI-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 106.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.85
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide?

The IUPAC name of 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide (CID 142528037) is 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide?

The canonical SMILES for 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide is C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)C(CO)Oc1ccc(Cl)cc1.

What is the InChIKey of 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide?

The InChIKey is MVVAIKASCVVZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O5/c1-11(25-18(29)16(10-28)30-14-5-3-13(21)4-6-14)2-7-17-26-27-19(31-17)12-8-15(9-12)32-20(22,23)24/h3-6,12,15-16,28H,1-2,7-10H2,(H,25,29).

What are the key properties of 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide?

2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide has a molecular weight of 475.85 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide is sourced from PubChem (CID 142528037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).