N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

C18H26IN5O2 — CID 109479662

IUPACN-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1nc(C)no1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C18H25N5O2.HI/c1-4-19-18(20-11-17-21-14(3)22-25-17)23-9-10-24-16(12-23)15-8-6-5-7-13(15)2;/h5-8,16H,4,9-12H2,1-3H3,(H,19,20);1H
InChIKeyQAMKITFUDVPXKS-UHFFFAOYSA-N
MW471.34 g/mol
LogP2.84
Rot. Bonds4

About N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109479662) has the molecular formula C18H26IN5O2 and a molecular weight of 471.34 g/mol. Its IUPAC name is N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109479662
Molecular FormulaC18H26IN5O2
Molecular Weight471.34 g/mol
Exact Mass471.11
IUPAC NameN-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1nc(C)no1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C18H25N5O2.HI/c1-4-19-18(20-11-17-21-14(3)22-25-17)23-9-10-24-16(12-23)15-8-6-5-7-13(15)2;/h5-8,16H,4,9-12H2,1-3H3,(H,19,20);1H
InChIKeyQAMKITFUDVPXKS-UHFFFAOYSA-N
XLogP2.84
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481754
N-ethyl-N'-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480432
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N-ethyl-N'-(3-hydroxy-2,2-dimethylpropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480503
N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109480415
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-ethyl-2-(2-methylphenyl)-N'-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109480055
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479444
4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109480328
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481495
N-ethyl-2-(2-methylphenyl)-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480990
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109479662) is N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is CCN/C(=N\Cc1nc(C)no1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is QAMKITFUDVPXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.HI/c1-4-19-18(20-11-17-21-14(3)22-25-17)23-9-10-24-16(12-23)15-8-6-5-7-13(15)2;/h5-8,16H,4,9-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 471.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109479662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).