5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide

C13H10F3N3O3 — CID 2744353

IUPAC5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C13H10F3N3O3/c1-7-6-10(19-22-7)12(21)18-17-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H,17,20)(H,18,21)
InChIKeyHIRKIJGEUWEQKF-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.08
Rot. Bonds2

About 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide

5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 2744353) has the molecular formula C13H10F3N3O3 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide
PubChem CID2744353
Molecular FormulaC13H10F3N3O3
Molecular Weight313.24 g/mol
Exact Mass313.07
IUPAC Name5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C13H10F3N3O3/c1-7-6-10(19-22-7)12(21)18-17-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H,17,20)(H,18,21)
InChIKeyHIRKIJGEUWEQKF-UHFFFAOYSA-N
XLogP2.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-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 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide (CID 2744353) is 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is HIRKIJGEUWEQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3/c1-7-6-10(19-22-7)12(21)18-17-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H,17,20)(H,18,21).
What are the key properties of 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide?
5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 313.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2744353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).