[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

C19H10BrF3N2O5 — CID 41060778

About [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (PubChem CID 41060778) has the molecular formula C19H10BrF3N2O5 and a molecular weight of 483.20 g/mol. Its IUPAC name is [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.

Molecular Properties

• Compound Name: [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
• PubChem CID: 41060778
• Molecular Formula: C19H10BrF3N2O5
• Molecular Weight: 483.20 g/mol
• Exact Mass: 481.97
• IUPAC Name: [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
• SMILES: O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
• InChI: InChI=1S/C19H10BrF3N2O5/c20-15-7-6-13(29-15)17-25-24-16(30-17)9-27-18(26)14-5-4-12(28-14)10-2-1-3-11(8-10)19(21,22)23/h1-8H,9H2
• InChIKey: PGTNWTFRXXICMW-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 91.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.20
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?

The IUPAC name of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (CID 41060778) is [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.

What is the SMILES notation for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?

The canonical SMILES for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc(-c2cccc(C(F)(F)F)c2)o1.

What is the InChIKey of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?

The InChIKey is PGTNWTFRXXICMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrF3N2O5/c20-15-7-6-13(29-15)17-25-24-16(30-17)9-27-18(26)14-5-4-12(28-14)10-2-1-3-11(8-10)19(21,22)23/h1-8H,9H2.

What are the key properties of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?

[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate has a molecular weight of 483.20 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is sourced from PubChem (CID 41060778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).