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

C22H24N4O2 — CID 54149386

IUPACN'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)cc1)c1cc(N=C(N)N2CCOCC2)on1
InChIInChI=1S/C22H24N4O2/c1-16(17-7-9-19(10-8-17)18-5-3-2-4-6-18)20-15-21(28-25-20)24-22(23)26-11-13-27-14-12-26/h2-10,15-16H,11-14H2,1H3,(H2,23,24)
InChIKeyOGRJGMJLQQVWHX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.77
Rot. Bonds4

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

N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide (PubChem CID 54149386) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
PubChem CID54149386
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)cc1)c1cc(N=C(N)N2CCOCC2)on1
InChIInChI=1S/C22H24N4O2/c1-16(17-7-9-19(10-8-17)18-5-3-2-4-6-18)20-15-21(28-25-20)24-22(23)26-11-13-27-14-12-26/h2-10,15-16H,11-14H2,1H3,(H2,23,24)
InChIKeyOGRJGMJLQQVWHX-UHFFFAOYSA-N
XLogP3.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.77
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

N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 54411884
N'-[3-[1-[3-fluoro-4-(4-hydroxyphenyl)phenyl]ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide;hydrochloride
CID 18693773
N'-[3-(1-isoquinolin-4-ylethyl)-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 54035431
N'-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]thiomorpholine-4-carboximidamide
CID 54404143
4-acetyl-N'-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]piperazine-1-carboximidamide
CID 54259435
N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 70081652
N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
CID 54302665
N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide
CID 87954185
N'-[3-[1-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]-1,3-thiazolidine-3-carboximidamide
CID 18693542
N'-[3-[(3-fluoro-4-phenylphenyl)-dimethoxymethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 54542034
N'-[5-[2-(3-fluoro-4-phenylphenyl)propyl]-1,2-oxazol-3-yl]morpholine-4-carboximidamide
CID 70083311
N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide
CID 142073733

Frequently Asked Questions

What is the IUPAC name of N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide (CID 54149386) is N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide is CC(c1ccc(-c2ccccc2)cc1)c1cc(N=C(N)N2CCOCC2)on1.
What is the InChIKey of N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The InChIKey is OGRJGMJLQQVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(17-7-9-19(10-8-17)18-5-3-2-4-6-18)20-15-21(28-25-20)24-22(23)26-11-13-27-14-12-26/h2-10,15-16H,11-14H2,1H3,(H2,23,24).
What are the key properties of N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide has a molecular weight of 376.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide is sourced from PubChem (CID 54149386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).