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

C16H20N4O2 — CID 120661374

IUPAC2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2cc(-c3ccccc3)on2)CCO1
InChIInChI=1S/C16H20N4O2/c1-12-11-20(7-8-21-12)16(17)18-10-14-9-15(22-19-14)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3,(H2,17,18)
InChIKeyRJMLYQIKWWQYAU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.88
Rot. Bonds3

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

2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide (PubChem CID 120661374) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
PubChem CID120661374
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2cc(-c3ccccc3)on2)CCO1
InChIInChI=1S/C16H20N4O2/c1-12-11-20(7-8-21-12)16(17)18-10-14-9-15(22-19-14)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3,(H2,17,18)
InChIKeyRJMLYQIKWWQYAU-UHFFFAOYSA-N
XLogP1.88
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.88
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

2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279
2-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661143
2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide
CID 120662048
N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662146
1,1-diethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078072
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661163
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
1-butan-2-yl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927490

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide (CID 120661374) is 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide is CC1CN(/C(N)=N/Cc2cc(-c3ccccc3)on2)CCO1.
What is the InChIKey of 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is RJMLYQIKWWQYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-11-20(7-8-21-12)16(17)18-10-14-9-15(22-19-14)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3,(H2,17,18).
What are the key properties of 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide?
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 300.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120661374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).