4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C15H18BrFN6O3 — CID 139339382

IUPAC4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNC1CCC(ONc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1
InChIInChI=1S/C15H18BrFN6O3/c16-11-7-9(3-6-12(11)17)19-14(20-24)13-15(23-26-21-13)22-25-10-4-1-8(18)2-5-10/h3,6-8,10,24H,1-2,4-5,18H2,(H,19,20)(H,22,23)
InChIKeyBUUVZFIMEHMTNW-UHFFFAOYSA-N
MW429.25 g/mol
LogP2.64
Rot. Bonds5

About 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 139339382) has the molecular formula C15H18BrFN6O3 and a molecular weight of 429.25 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID139339382
Molecular FormulaC15H18BrFN6O3
Molecular Weight429.25 g/mol
Exact Mass428.06
IUPAC Name4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNC1CCC(ONc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1
InChIInChI=1S/C15H18BrFN6O3/c16-11-7-9(3-6-12(11)17)19-14(20-24)13-15(23-26-21-13)22-25-10-4-1-8(18)2-5-10/h3,6-8,10,24H,1-2,4-5,18H2,(H,19,20)(H,22,23)
InChIKeyBUUVZFIMEHMTNW-UHFFFAOYSA-N
XLogP2.64
TPSA130.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide 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-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CID 139339382) is 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is NC1CCC(ONc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is BUUVZFIMEHMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN6O3/c16-11-7-9(3-6-12(11)17)19-14(20-24)13-15(23-26-21-13)22-25-10-4-1-8(18)2-5-10/h3,6-8,10,24H,1-2,4-5,18H2,(H,19,20)(H,22,23).
What are the key properties of 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 429.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)oxyamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 139339382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).