4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one

C19H14BrF4N5O5 — CID 58558410

IUPAC4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
SMILESO=C(Cc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H14BrF4N5O5/c20-11-7-10(1-2-12(11)21)29-16(27-33-18(29)32)15-13(25-34-26-15)8-14(30)9-3-5-28(6-4-9)17(31)19(22,23)24/h1-2,7,9H,3-6,8H2
InChIKeyVCFLRBQLFYHULI-UHFFFAOYSA-N
MW548.25 g/mol
LogP2.69
Rot. Bonds5

About 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one

4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one (PubChem CID 58558410) has the molecular formula C19H14BrF4N5O5 and a molecular weight of 548.25 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
PubChem CID58558410
Molecular FormulaC19H14BrF4N5O5
Molecular Weight548.25 g/mol
Exact Mass547.01
IUPAC Name4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
SMILESO=C(Cc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H14BrF4N5O5/c20-11-7-10(1-2-12(11)21)29-16(27-33-18(29)32)15-13(25-34-26-15)8-14(30)9-3-5-28(6-4-9)17(31)19(22,23)24/h1-2,7,9H,3-6,8H2
InChIKeyVCFLRBQLFYHULI-UHFFFAOYSA-N
XLogP2.69
TPSA124.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one (CID 58558410) is 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one is O=C(Cc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The InChIKey is VCFLRBQLFYHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF4N5O5/c20-11-7-10(1-2-12(11)21)29-16(27-33-18(29)32)15-13(25-34-26-15)8-14(30)9-3-5-28(6-4-9)17(31)19(22,23)24/h1-2,7,9H,3-6,8H2.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one has a molecular weight of 548.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-3-[4-[2-oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 58558410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).