1,2-oxazole-3-carbohydrazide

C4H5N3O2 — CID 54338553

IUPAC1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1ccon1
InChIInChI=1S/C4H5N3O2/c5-6-4(8)3-1-2-9-7-3/h1-2H,5H2,(H,6,8)
InChIKeyBIDIOFINQYYTRY-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.72
Rot. Bonds1

About 1,2-oxazole-3-carbohydrazide

1,2-oxazole-3-carbohydrazide (PubChem CID 54338553) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name1,2-oxazole-3-carbohydrazide
PubChem CID54338553
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1ccon1
InChIInChI=1S/C4H5N3O2/c5-6-4(8)3-1-2-9-7-3/h1-2H,5H2,(H,6,8)
InChIKeyBIDIOFINQYYTRY-UHFFFAOYSA-N
XLogP-0.72
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.72
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 1,2-oxazole-3-carbohydrazide?
The IUPAC name of 1,2-oxazole-3-carbohydrazide (CID 54338553) is 1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 1,2-oxazole-3-carbohydrazide is NNC(=O)c1ccon1.
What is the InChIKey of 1,2-oxazole-3-carbohydrazide?
The InChIKey is BIDIOFINQYYTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-6-4(8)3-1-2-9-7-3/h1-2H,5H2,(H,6,8).
What are the key properties of 1,2-oxazole-3-carbohydrazide?
1,2-oxazole-3-carbohydrazide has a molecular weight of 127.10 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 54338553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).