N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide

C11H8FN3O3 — CID 68713625

IUPACN'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccno1
InChIInChI=1S/C11H8FN3O3/c12-8-4-2-1-3-7(8)10(16)14-15-11(17)9-5-6-13-18-9/h1-6H,(H,14,16)(H,15,17)
InChIKeyKNPGCEMNAIQLHQ-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.89
Rot. Bonds2

About N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide

N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 68713625) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide
PubChem CID68713625
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC NameN'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccno1
InChIInChI=1S/C11H8FN3O3/c12-8-4-2-1-3-7(8)10(16)14-15-11(17)9-5-6-13-18-9/h1-6H,(H,14,16)(H,15,17)
InChIKeyKNPGCEMNAIQLHQ-UHFFFAOYSA-N
XLogP0.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide (CID 68713625) is N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccno1.
What is the InChIKey of N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is KNPGCEMNAIQLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-8-4-2-1-3-7(8)10(16)14-15-11(17)9-5-6-13-18-9/h1-6H,(H,14,16)(H,15,17).
What are the key properties of N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide?
N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 249.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 68713625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).