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

C15H17BrFN5O3 — CID 137462278

IUPACN'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide
SMILESON/C(=N\c1ccc(F)c(Br)c1)c1nonc1NC1CCC(O)CC1
InChIInChI=1S/C15H17BrFN5O3/c16-11-7-9(3-6-12(11)17)19-14(20-24)13-15(22-25-21-13)18-8-1-4-10(23)5-2-8/h3,6-8,10,23-24H,1-2,4-5H2,(H,18,22)(H,19,20)
InChIKeyJRNDYKSGPPKFCW-UHFFFAOYSA-N
MW414.24 g/mol
LogP2.74
Rot. Bonds4

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

N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 137462278) has the molecular formula C15H17BrFN5O3 and a molecular weight of 414.24 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID137462278
Molecular FormulaC15H17BrFN5O3
Molecular Weight414.24 g/mol
Exact Mass413.05
IUPAC NameN'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide
SMILESON/C(=N\c1ccc(F)c(Br)c1)c1nonc1NC1CCC(O)CC1
InChIInChI=1S/C15H17BrFN5O3/c16-11-7-9(3-6-12(11)17)19-14(20-24)13-15(22-25-21-13)18-8-1-4-10(23)5-2-8/h3,6-8,10,23-24H,1-2,4-5H2,(H,18,22)(H,19,20)
InChIKeyJRNDYKSGPPKFCW-UHFFFAOYSA-N
XLogP2.74
TPSA115.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.24
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-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 N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide (CID 137462278) is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide is ON/C(=N\c1ccc(F)c(Br)c1)c1nonc1NC1CCC(O)CC1.
What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is JRNDYKSGPPKFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN5O3/c16-11-7-9(3-6-12(11)17)19-14(20-24)13-15(22-25-21-13)18-8-1-4-10(23)5-2-8/h3,6-8,10,23-24H,1-2,4-5H2,(H,18,22)(H,19,20).
What are the key properties of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide?
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 414.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(4-hydroxycyclohexyl)amino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 137462278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).