N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide

C23H25FN4O — CID 18693850

IUPACN'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(Cc2ccc(-c3ccccc3)c(F)c2)on1)N1CCCCC1
InChIInChI=1S/C23H25FN4O/c24-22-14-17(9-10-21(22)18-7-3-1-4-8-18)13-20-15-19(27-29-20)16-26-23(25)28-11-5-2-6-12-28/h1,3-4,7-10,14-15H,2,5-6,11-13,16H2,(H2,25,26)
InChIKeyINQIIIITZBKKGJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.37
Rot. Bonds5

About N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide

N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide (PubChem CID 18693850) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
PubChem CID18693850
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(Cc2ccc(-c3ccccc3)c(F)c2)on1)N1CCCCC1
InChIInChI=1S/C23H25FN4O/c24-22-14-17(9-10-21(22)18-7-3-1-4-8-18)13-20-15-19(27-29-20)16-26-23(25)28-11-5-2-6-12-28/h1,3-4,7-10,14-15H,2,5-6,11-13,16H2,(H2,25,26)
InChIKeyINQIIIITZBKKGJ-UHFFFAOYSA-N
XLogP4.37
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboximidamide;N'-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide
CID 70082607
N'-[[5-[3-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
CID 70081157
N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide
CID 70082094
N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
CID 54059488
4-(2-aminoethyl)-N'-[[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]piperazine-1-carboximidamide
CID 70083211
N'-[[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methyl]-1,3,4-oxathiazinane-4-carboximidamide
CID 70081884
N'-[[3-[3-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
CID 70083383
N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038327
N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
CID 54302665
N'-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methyl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 18693667
4-(dimethylamino)-N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboximidamide
CID 54245562
N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111809380

Frequently Asked Questions

What is the IUPAC name of N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide (CID 18693850) is N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide is N/C(=N\Cc1cc(Cc2ccc(-c3ccccc3)c(F)c2)on1)N1CCCCC1.
What is the InChIKey of N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide?
The InChIKey is INQIIIITZBKKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-22-14-17(9-10-21(22)18-7-3-1-4-8-18)13-20-15-19(27-29-20)16-26-23(25)28-11-5-2-6-12-28/h1,3-4,7-10,14-15H,2,5-6,11-13,16H2,(H2,25,26).
What are the key properties of N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide?
N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide has a molecular weight of 392.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 18693850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).