5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H19ClF3N3O4 — CID 142528056

About 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 142528056) has the molecular formula C19H19ClF3N3O4 and a molecular weight of 445.83 g/mol. Its IUPAC name is 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 142528056
• Molecular Formula: C19H19ClF3N3O4
• Molecular Weight: 445.83 g/mol
• Exact Mass: 445.10
• IUPAC Name: 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: O=C(NCCCc1nnc(C2CC(OC(F)(F)F)C2)o1)C1Cc2cc(Cl)ccc2O1
• InChI: InChI=1S/C19H19ClF3N3O4/c20-12-3-4-14-10(6-12)9-15(28-14)17(27)24-5-1-2-16-25-26-18(29-16)11-7-13(8-11)30-19(21,22)23/h3-4,6,11,13,15H,1-2,5,7-9H2,(H,24,27)
• InChIKey: XZXPWBOKOUSQRW-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.83
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 142528056) is 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCCCc1nnc(C2CC(OC(F)(F)F)C2)o1)C1Cc2cc(Cl)ccc2O1.

What is the InChIKey of 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is XZXPWBOKOUSQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O4/c20-12-3-4-14-10(6-12)9-15(28-14)17(27)24-5-1-2-16-25-26-18(29-16)11-7-13(8-11)30-19(21,22)23/h3-4,6,11,13,15H,1-2,5,7-9H2,(H,24,27).

What are the key properties of 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 445.83 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 142528056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).