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

C9H16IN5O2 — CID 119119988

IUPACN'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1noc(C/N=C(\N)N2CCOCC2)n1.I
InChIInChI=1S/C9H15N5O2.HI/c1-7-12-8(16-13-7)6-11-9(10)14-2-4-15-5-3-14;/h2-6H2,1H3,(H2,10,11);1H
InChIKeyCSSRNZNOCGFIQA-UHFFFAOYSA-N
MW353.16 g/mol
LogP0.14
Rot. Bonds2

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

N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 119119988) has the molecular formula C9H16IN5O2 and a molecular weight of 353.16 g/mol. Its IUPAC name is N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID119119988
Molecular FormulaC9H16IN5O2
Molecular Weight353.16 g/mol
Exact Mass353.03
IUPAC NameN'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1noc(C/N=C(\N)N2CCOCC2)n1.I
InChIInChI=1S/C9H15N5O2.HI/c1-7-12-8(16-13-7)6-11-9(10)14-2-4-15-5-3-14;/h2-6H2,1H3,(H2,10,11);1H
InChIKeyCSSRNZNOCGFIQA-UHFFFAOYSA-N
XLogP0.14
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 50.14
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'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119998
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
4-methyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110930254
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111100700
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide
CID 111813984
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
4-(4-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111091252
N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120913510
N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119159369
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120762698
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111022143

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 119119988) is N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide is Cc1noc(C/N=C(\N)N2CCOCC2)n1.I.
What is the InChIKey of N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is CSSRNZNOCGFIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2.HI/c1-7-12-8(16-13-7)6-11-9(10)14-2-4-15-5-3-14;/h2-6H2,1H3,(H2,10,11);1H.
What are the key properties of N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 353.16 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119119988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).