5-phenyl-1,2-oxazole-3-carbohydrazide

C10H9N3O2 — CID 9361723

IUPAC5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C10H9N3O2/c11-12-10(14)8-6-9(15-13-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14)
InChIKeyXBHLFCQJZLLQDJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.95
Rot. Bonds2

About 5-phenyl-1,2-oxazole-3-carbohydrazide

5-phenyl-1,2-oxazole-3-carbohydrazide (PubChem CID 9361723) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-phenyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-phenyl-1,2-oxazole-3-carbohydrazide
PubChem CID9361723
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C10H9N3O2/c11-12-10(14)8-6-9(15-13-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14)
InChIKeyXBHLFCQJZLLQDJ-UHFFFAOYSA-N
XLogP0.95
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.95
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-phenyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-phenyl-1,2-oxazole-3-carbohydrazide (CID 9361723) is 5-phenyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-phenyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-phenyl-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is XBHLFCQJZLLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-12-10(14)8-6-9(15-13-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14).
What are the key properties of 5-phenyl-1,2-oxazole-3-carbohydrazide?
5-phenyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 203.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 9361723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).