5-methyl-1,2-oxazole-4-carbohydrazide

C5H7N3O2 — CID 16793489

IUPAC5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1oncc1C(=O)NN
InChIInChI=1S/C5H7N3O2/c1-3-4(2-7-10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKeyNBLQDUQBINRLBD-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.41
Rot. Bonds1

About 5-methyl-1,2-oxazole-4-carbohydrazide

5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 16793489) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID16793489
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1oncc1C(=O)NN
InChIInChI=1S/C5H7N3O2/c1-3-4(2-7-10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKeyNBLQDUQBINRLBD-UHFFFAOYSA-N
XLogP-0.41
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.41
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 5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-1,2-oxazole-4-carbohydrazide (CID 16793489) is 5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-1,2-oxazole-4-carbohydrazide is Cc1oncc1C(=O)NN.
What is the InChIKey of 5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is NBLQDUQBINRLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-4(2-7-10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9).
What are the key properties of 5-methyl-1,2-oxazole-4-carbohydrazide?
5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 141.13 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 16793489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).