N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide

C23H26N4O2 — CID 109480737

IUPACN'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide
SMILESC/N=C(\NCc1coc(-c2ccccc2)n1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C23H26N4O2/c1-17-8-6-7-11-20(17)21-15-27(12-13-28-21)23(24-2)25-14-19-16-29-22(26-19)18-9-4-3-5-10-18/h3-11,16,21H,12-15H2,1-2H3,(H,24,25)
InChIKeyQMKWTZCYZFFZPY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.80
Rot. Bonds4

About N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide

N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide (PubChem CID 109480737) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide
PubChem CID109480737
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide
SMILESC/N=C(\NCc1coc(-c2ccccc2)n1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C23H26N4O2/c1-17-8-6-7-11-20(17)21-15-27(12-13-28-21)23(24-2)25-14-19-16-29-22(26-19)18-9-4-3-5-10-18/h3-11,16,21H,12-15H2,1-2H3,(H,24,25)
InChIKeyQMKWTZCYZFFZPY-UHFFFAOYSA-N
XLogP3.80
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.80
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'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481644
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481243
N'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955
N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479945
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480348
N-[[3-(methoxymethyl)phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480848
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479477
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480032
N'-methyl-2-(2-methylphenyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481075

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide (CID 109480737) is N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide is C/N=C(\NCc1coc(-c2ccccc2)n1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is QMKWTZCYZFFZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-8-6-7-11-20(17)21-15-27(12-13-28-21)23(24-2)25-14-19-16-29-22(26-19)18-9-4-3-5-10-18/h3-11,16,21H,12-15H2,1-2H3,(H,24,25).
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide?
N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 390.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 109480737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).