N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide

C9H16N4O2 — CID 106372798

IUPACN'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
SMILESCc1cnc(CNCC(C)/C(N)=N/O)o1
InChIInChI=1S/C9H16N4O2/c1-6(9(10)13-14)3-11-5-8-12-4-7(2)15-8/h4,6,11,14H,3,5H2,1-2H3,(H2,10,13)
InChIKeyQTISFDQPQVGVHJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.46
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide

N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide (PubChem CID 106372798) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
PubChem CID106372798
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
SMILESCc1cnc(CNCC(C)/C(N)=N/O)o1
InChIInChI=1S/C9H16N4O2/c1-6(9(10)13-14)3-11-5-8-12-4-7(2)15-8/h4,6,11,14H,3,5H2,1-2H3,(H2,10,13)
InChIKeyQTISFDQPQVGVHJ-UHFFFAOYSA-N
XLogP0.46
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
CID 106372811
N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide
CID 77027890
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701
3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77061641
N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide
CID 106372805
N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136811550
N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-N-propan-2-ylacetamide
CID 106372389
N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
CID 77032726

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide (CID 106372798) is N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide is Cc1cnc(CNCC(C)/C(N)=N/O)o1.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide?
The InChIKey is QTISFDQPQVGVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(9(10)13-14)3-11-5-8-12-4-7(2)15-8/h4,6,11,14H,3,5H2,1-2H3,(H2,10,13).
What are the key properties of N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide?
N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide has a molecular weight of 212.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide is sourced from PubChem (CID 106372798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).