2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide

C7H12N4O2 — CID 112672694

IUPAC2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide
SMILESCn1cncc1CNOCC(N)=O
InChIInChI=1S/C7H12N4O2/c1-11-5-9-2-6(11)3-10-13-4-7(8)12/h2,5,10H,3-4H2,1H3,(H2,8,12)
InChIKeyLHGAEYHUNPYBFG-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.07
Rot. Bonds5

About 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide

2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide (PubChem CID 112672694) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide
PubChem CID112672694
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide
SMILESCn1cncc1CNOCC(N)=O
InChIInChI=1S/C7H12N4O2/c1-11-5-9-2-6(11)3-10-13-4-7(8)12/h2,5,10H,3-4H2,1H3,(H2,8,12)
InChIKeyLHGAEYHUNPYBFG-UHFFFAOYSA-N
XLogP-1.07
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide
CID 112673626
2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]acetamide
CID 66116627
2-(3-methylimidazol-4-yl)ethylurea
CID 141391466
2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
CID 112673660
[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol
CID 115763109
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
2-chloro-N-[(3-methylimidazol-4-yl)methylcarbamoyl]acetamide
CID 130756450
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572
(1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate
CID 143001799
methyl 2-(aminomethyl)-3-(3-methylimidazol-4-yl)propanoate
CID 66117010
(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoyl chloride
CID 57324363
2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
CID 112673930

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide (CID 112672694) is 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide is Cn1cncc1CNOCC(N)=O.
What is the InChIKey of 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide?
The InChIKey is LHGAEYHUNPYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-11-5-9-2-6(11)3-10-13-4-7(8)12/h2,5,10H,3-4H2,1H3,(H2,8,12).
What are the key properties of 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide?
2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide has a molecular weight of 184.20 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide is sourced from PubChem (CID 112672694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).