5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

C11H11N3O2 — CID 727924

IUPAC5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NN
InChIInChI=1S/C11H11N3O2/c1-7-9(11(15)13-12)10(14-16-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,15)
InChIKeyNVDQWXGHTJREBS-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.25
Rot. Bonds2

About 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 727924) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID727924
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NN
InChIInChI=1S/C11H11N3O2/c1-7-9(11(15)13-12)10(14-16-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,15)
InChIKeyNVDQWXGHTJREBS-UHFFFAOYSA-N
XLogP1.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.25
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-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 727924) is 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NN.
What is the InChIKey of 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is NVDQWXGHTJREBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-9(11(15)13-12)10(14-16-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,15).
What are the key properties of 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 727924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).