N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide

C9H17N5O2 — CID 106418352

IUPACN'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide
SMILESCc1nc(CCNCCCC(N)=NO)no1
InChIInChI=1S/C9H17N5O2/c1-7-12-9(14-16-7)4-6-11-5-2-3-8(10)13-15/h11,15H,2-6H2,1H3,(H2,10,13)
InChIKeyUGXYLOSOVYXLCC-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.04
Rot. Bonds7

About N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide

N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide (PubChem CID 106418352) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide
PubChem CID106418352
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC NameN'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide
SMILESCc1nc(CCNCCCC(N)=NO)no1
InChIInChI=1S/C9H17N5O2/c1-7-12-9(14-16-7)4-6-11-5-2-3-8(10)13-15/h11,15H,2-6H2,1H3,(H2,10,13)
InChIKeyUGXYLOSOVYXLCC-UHFFFAOYSA-N
XLogP0.04
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
CID 106416031
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
(5Z)-5-amino-5-hydroxyiminopentanoic acid;4-(5-methyl-1,2,4-oxadiazol-3-yl)butanoic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 172958983
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106421839
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
methyl 2-bromo-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106419608
3-ethyl-5-methyl-1,2,4-oxadiazole;hydroxylamine;N'-hydroxypropanimidamide;propanenitrile
CID 161436175

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide (CID 106418352) is N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide is Cc1nc(CCNCCCC(N)=NO)no1.
What is the InChIKey of N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide?
The InChIKey is UGXYLOSOVYXLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-7-12-9(14-16-7)4-6-11-5-2-3-8(10)13-15/h11,15H,2-6H2,1H3,(H2,10,13).
What are the key properties of N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide?
N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide has a molecular weight of 227.27 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide is sourced from PubChem (CID 106418352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).