N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide

C22H18BrFN6O4 — CID 58755035

IUPACN-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C22H18BrFN6O4/c23-15-12-14(6-7-16(15)24)30-19(29-33-21(30)32)17-18(28-34-27-17)26-20(31)22(8-10-25-11-9-22)13-4-2-1-3-5-13/h1-7,12,25H,8-11H2,(H,26,28,31)
InChIKeyGFRXEBXKDUVFBW-UHFFFAOYSA-N
MW529.33 g/mol
LogP3.04
Rot. Bonds5

About N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide

N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide (PubChem CID 58755035) has the molecular formula C22H18BrFN6O4 and a molecular weight of 529.33 g/mol. Its IUPAC name is N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide
PubChem CID58755035
Molecular FormulaC22H18BrFN6O4
Molecular Weight529.33 g/mol
Exact Mass528.06
IUPAC NameN-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C22H18BrFN6O4/c23-15-12-14(6-7-16(15)24)30-19(29-33-21(30)32)17-18(28-34-27-17)26-20(31)22(8-10-25-11-9-22)13-4-2-1-3-5-13/h1-7,12,25H,8-11H2,(H,26,28,31)
InChIKeyGFRXEBXKDUVFBW-UHFFFAOYSA-N
XLogP3.04
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide (CID 58755035) is N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide is O=C(Nc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is GFRXEBXKDUVFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN6O4/c23-15-12-14(6-7-16(15)24)30-19(29-33-21(30)32)17-18(28-34-27-17)26-20(31)22(8-10-25-11-9-22)13-4-2-1-3-5-13/h1-7,12,25H,8-11H2,(H,26,28,31).
What are the key properties of N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide?
N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 529.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 58755035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).