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

C23H25FN4O2 — CID 54302665

IUPACN'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(C/N=C(\N)N2CCOCC2)on1
InChIInChI=1S/C23H25FN4O2/c1-16(18-7-8-20(21(24)13-18)17-5-3-2-4-6-17)22-14-19(30-27-22)15-26-23(25)28-9-11-29-12-10-28/h2-8,13-14,16H,9-12,15H2,1H3,(H2,25,26)
InChIKeySFILWBSSWUZORY-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.78
Rot. Bonds5

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

N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide (PubChem CID 54302665) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
PubChem CID54302665
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(C/N=C(\N)N2CCOCC2)on1
InChIInChI=1S/C23H25FN4O2/c1-16(18-7-8-20(21(24)13-18)17-5-3-2-4-6-17)22-14-19(30-27-22)15-26-23(25)28-9-11-29-12-10-28/h2-8,13-14,16H,9-12,15H2,1H3,(H2,25,26)
InChIKeySFILWBSSWUZORY-UHFFFAOYSA-N
XLogP3.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(dimethylamino)-N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboximidamide
CID 54245562
N'-[5-[2-(3-fluoro-4-phenylphenyl)propyl]-1,2-oxazol-3-yl]morpholine-4-carboximidamide
CID 70083311
N'-[3-[1-[3-fluoro-4-(4-hydroxyphenyl)phenyl]ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide;hydrochloride
CID 18693773
1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
CID 18693469
N'-[[3-[3-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
CID 70083383
N'-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methyl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 18693667
N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide
CID 142073733
1-carbamimidoyl-3-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 70081885
N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 54149386
N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide
CID 87954185
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-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
CID 18693850

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide (CID 54302665) is N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(C/N=C(\N)N2CCOCC2)on1.
What is the InChIKey of N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide?
The InChIKey is SFILWBSSWUZORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16(18-7-8-20(21(24)13-18)17-5-3-2-4-6-17)22-14-19(30-27-22)15-26-23(25)28-9-11-29-12-10-28/h2-8,13-14,16H,9-12,15H2,1H3,(H2,25,26).
What are the key properties of N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide?
N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide has a molecular weight of 408.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 54302665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).