1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide

C15H16BrFN6O3 — CID 142797792

IUPAC1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nonc2/C=N/ONc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H16BrFN6O3/c16-11-7-10(1-2-12(11)17)20-25-19-8-13-15(22-26-21-13)23-5-3-9(4-6-23)14(18)24/h1-2,7-9,20H,3-6H2,(H2,18,24)/b19-8+
InChIKeyVEUFORKNJGUAJS-UFWORHAWSA-N
MW427.23 g/mol
LogP2.05
Rot. Bonds6

About 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide

1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide (PubChem CID 142797792) has the molecular formula C15H16BrFN6O3 and a molecular weight of 427.23 g/mol. Its IUPAC name is 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide
PubChem CID142797792
Molecular FormulaC15H16BrFN6O3
Molecular Weight427.23 g/mol
Exact Mass426.05
IUPAC Name1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nonc2/C=N/ONc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H16BrFN6O3/c16-11-7-10(1-2-12(11)17)20-25-19-8-13-15(22-26-21-13)23-5-3-9(4-6-23)14(18)24/h1-2,7-9,20H,3-6H2,(H2,18,24)/b19-8+
InChIKeyVEUFORKNJGUAJS-UFWORHAWSA-N
XLogP2.05
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-3,4-dimethoxybenzamide
CID 88547025
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-methoxyacetamide
CID 88547069
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 88547040
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-(2-chlorophenoxy)acetamide
CID 88547095
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 88547011
N-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]-2-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 88547039
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
4-[(3-bromo-4-fluoroanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499815
1-(3,5-diamino-2-pyridinyl)piperidine-4-carboxamide
CID 21082843
N'-(3-bromo-4-fluorophenyl)-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboximidamide
CID 70642576
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
CID 80754583

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide (CID 142797792) is 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nonc2/C=N/ONc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide?
The InChIKey is VEUFORKNJGUAJS-UFWORHAWSA-N. The full InChI is InChI=1S/C15H16BrFN6O3/c16-11-7-10(1-2-12(11)17)20-25-19-8-13-15(22-26-21-13)23-5-3-9(4-6-23)14(18)24/h1-2,7-9,20H,3-6H2,(H2,18,24)/b19-8+.
What are the key properties of 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide?
1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide has a molecular weight of 427.23 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-(3-bromo-4-fluoroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 142797792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).