3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile

C11H24N6O3 — CID 161436175

IUPAC3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile
SMILESCCC#N.CCC(N)=NO.CCc1noc(C)n1.NO
InChIInChI=1S/C5H8N2O.C3H8N2O.C3H5N.H3NO/c1-3-5-6-4(2)8-7-5;1-2-3(4)5-6;1-2-3-4;1-2/h3H2,1-2H3;6H,2H2,1H3,(H2,4,5);2H2,1H3;2H,1H2
InChIKeyVYRDSTVCQDDLEN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.34
Rot. Bonds2

About 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile

3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile (PubChem CID 161436175) has the molecular formula C11H24N6O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile.

Molecular Properties

Compound Name3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile
PubChem CID161436175
Molecular FormulaC11H24N6O3
Molecular Weight288.35 g/mol
Exact Mass288.19
IUPAC Name3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile
SMILESCCC#N.CCC(N)=NO.CCc1noc(C)n1.NO
InChIInChI=1S/C5H8N2O.C3H8N2O.C3H5N.H3NO/c1-3-5-6-4(2)8-7-5;1-2-3(4)5-6;1-2-3-4;1-2/h3H2,1-2H3;6H,2H2,1H3,(H2,4,5);2H2,1H3;2H,1H2
InChIKeyVYRDSTVCQDDLEN-UHFFFAOYSA-N
XLogP1.34
TPSA167.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-Methyl-1,2,4-oxadiazol-3-yl)acetonitrile
CID 14590472
(3-Methyl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 54587860
2-(5-(tert-Butyl)-1,2,4-oxadiazol-3-yl)acetonitrile
CID 15785711
3-Ethyl-1,2,4-oxadiazole-5-carbonitrile
CID 68173523
3-(5-Methyl-1,2,4-oxadiazol-3-yl)propanamide
CID 89267025
1,2,4-Oxadiazole-5-acetonitrile, 3-ethyl-
CID 91618403
2-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)acetamide
CID 118570581
N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide
CID 142918024
3,5-Diethyl-1,2,4-oxadiazole;ethane
CID 143641881
Ethane;5-ethyl-3-methyl-1,2,4-oxadiazole;methanol
CID 144060386
5-Ethyl-3-methyl-1,2,4-oxadiazole;propane
CID 144060543
Ethane;5-methyl-3-propyl-1,2,4-oxadiazole
CID 145665430

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile?
The IUPAC name of 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile (CID 161436175) is 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile.
What is the SMILES notation for 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile?
The canonical SMILES for 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile is CCC#N.CCC(N)=NO.CCc1noc(C)n1.NO.
What is the InChIKey of 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile?
The InChIKey is VYRDSTVCQDDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C3H8N2O.C3H5N.H3NO/c1-3-5-6-4(2)8-7-5;1-2-3(4)5-6;1-2-3-4;1-2/h3H2,1-2H3;6H,2H2,1H3,(H2,4,5);2H2,1H3;2H,1H2.
What are the key properties of 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile?
3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile has a molecular weight of 288.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile is sourced from PubChem (CID 161436175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).