[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate

C24H17BrF4N6O6 — CID 67436112

IUPAC[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(C(=O)Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)(c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C24H17BrF4N6O6/c25-15-12-14(6-7-16(15)26)35-19(33-39-22(35)38)17-18(32-41-31-17)30-20(36)23(13-4-2-1-3-5-13)8-10-34(11-9-23)40-21(37)24(27,28)29/h1-7,12H,8-11H2,(H,30,32,36)
InChIKeyPZRPYYRYSIKALN-UHFFFAOYSA-N
MW641.33 g/mol
LogP3.77
Rot. Bonds6

About [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate

[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 67436112) has the molecular formula C24H17BrF4N6O6 and a molecular weight of 641.33 g/mol. Its IUPAC name is [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID67436112
Molecular FormulaC24H17BrF4N6O6
Molecular Weight641.33 g/mol
Exact Mass640.03
IUPAC Name[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(C(=O)Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)(c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C24H17BrF4N6O6/c25-15-12-14(6-7-16(15)26)35-19(33-39-22(35)38)17-18(32-41-31-17)30-20(36)23(13-4-2-1-3-5-13)8-10-34(11-9-23)40-21(37)24(27,28)29/h1-7,12H,8-11H2,(H,30,32,36)
InChIKeyPZRPYYRYSIKALN-UHFFFAOYSA-N
XLogP3.77
TPSA145.59 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate (CID 67436112) is [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CCC(C(=O)Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)(c2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is PZRPYYRYSIKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrF4N6O6/c25-15-12-14(6-7-16(15)26)35-19(33-39-22(35)38)17-18(32-41-31-17)30-20(36)23(13-4-2-1-3-5-13)8-10-34(11-9-23)40-21(37)24(27,28)29/h1-7,12H,8-11H2,(H,30,32,36).
What are the key properties of [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate?
[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 641.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]carbamoyl]-4-phenylpiperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67436112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).