2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide

C6H9N3O2 — CID 45117989

IUPAC2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide
SMILESCc1cc(CC(=O)NN)on1
InChIInChI=1S/C6H9N3O2/c1-4-2-5(11-9-4)3-6(10)8-7/h2H,3,7H2,1H3,(H,8,10)
InChIKeyJATRHRLUPRIDCL-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.48
Rot. Bonds2

About 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide

2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide (PubChem CID 45117989) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide
PubChem CID45117989
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide
SMILESCc1cc(CC(=O)NN)on1
InChIInChI=1S/C6H9N3O2/c1-4-2-5(11-9-4)3-6(10)8-7/h2H,3,7H2,1H3,(H,8,10)
InChIKeyJATRHRLUPRIDCL-UHFFFAOYSA-N
XLogP-0.48
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide (CID 45117989) is 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide is Cc1cc(CC(=O)NN)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide?
The InChIKey is JATRHRLUPRIDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-2-5(11-9-4)3-6(10)8-7/h2H,3,7H2,1H3,(H,8,10).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide?
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide has a molecular weight of 155.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide is sourced from PubChem (CID 45117989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).