methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate

C5H6N4O2 — CID 142609208

IUPACmethanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate
SMILES[H]/N=C(\O/C=N/[H])c1noc(C)n1
InChIInChI=1S/C5H6N4O2/c1-3-8-5(9-11-3)4(7)10-2-6/h2,6-7H,1H3/b6-2+,7-4-
InChIKeyOPCJYHLCDPWUBM-HVAWZRNZSA-N
MW154.13 g/mol
LogP0.33
Rot. Bonds2

About methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate

methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate (PubChem CID 142609208) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate.

Molecular Properties

Compound Namemethanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate
PubChem CID142609208
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Namemethanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate
SMILES[H]/N=C(\O/C=N/[H])c1noc(C)n1
InChIInChI=1S/C5H6N4O2/c1-3-8-5(9-11-3)4(7)10-2-6/h2,6-7H,1H3/b6-2+,7-4-
InChIKeyOPCJYHLCDPWUBM-HVAWZRNZSA-N
XLogP0.33
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole
CID 123960870
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
(E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol
CID 168984105
lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
CID 134690810
N,N-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethenamine
CID 123763792
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
CID 142391615
3-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138534842
methanimidoyl 3-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzenecarboximidate
CID 163768871
2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine
CID 166705107
3-[(3E,6Z)-8-fluoroocta-1,3,6-trien-4-yl]-5-methyl-1,2,4-oxadiazole
CID 142816300
3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
CID 143084717
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65452844

Frequently Asked Questions

What is the IUPAC name of methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate?
The IUPAC name of methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate (CID 142609208) is methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate.
What is the SMILES notation for methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate?
The canonical SMILES for methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate is [H]/N=C(\O/C=N/[H])c1noc(C)n1.
What is the InChIKey of methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate?
The InChIKey is OPCJYHLCDPWUBM-HVAWZRNZSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-3-8-5(9-11-3)4(7)10-2-6/h2,6-7H,1H3/b6-2+,7-4-.
What are the key properties of methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate?
methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate has a molecular weight of 154.13 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate is sourced from PubChem (CID 142609208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).