furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone

C23H17F3N2O3 — CID 46107266

About furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone

furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 46107266) has the molecular formula C23H17F3N2O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 46107266
• Molecular Formula: C23H17F3N2O3
• Molecular Weight: 426.39 g/mol
• Exact Mass: 426.12
• IUPAC Name: furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccco1)N1CCCC1c1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2o1
• InChI: InChI=1S/C23H17F3N2O3/c24-23(25,26)16-5-1-4-14(12-16)15-8-9-19-17(13-15)27-21(31-19)18-6-2-10-28(18)22(29)20-7-3-11-30-20/h1,3-5,7-9,11-13,18H,2,6,10H2
• InChIKey: YNZORWFYAHRGHM-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 59.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.39
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone (CID 46107266) is furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone is O=C(c1ccco1)N1CCCC1c1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2o1.

What is the InChIKey of furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is YNZORWFYAHRGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3/c24-23(25,26)16-5-1-4-14(12-16)15-8-9-19-17(13-15)27-21(31-19)18-6-2-10-28(18)22(29)20-7-3-11-30-20/h1,3-5,7-9,11-13,18H,2,6,10H2.

What are the key properties of furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone?

furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 426.39 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[2-[5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46107266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).