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

C18H14F3N3O2 — CID 2811207

IUPAC5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c1-11-15(16(24-26-11)12-7-3-2-4-8-12)17(25)23-22-14-10-6-5-9-13(14)18(19,20)21/h2-10,22H,1H3,(H,23,25)
InChIKeyPRFJMBYQRZAIFM-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.43
Rot. Bonds4

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

5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide (PubChem CID 2811207) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide
PubChem CID2811207
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c1-11-15(16(24-26-11)12-7-3-2-4-8-12)17(25)23-22-14-10-6-5-9-13(14)18(19,20)21/h2-10,22H,1H3,(H,23,25)
InChIKeyPRFJMBYQRZAIFM-UHFFFAOYSA-N
XLogP4.43
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide (CID 2811207) is 5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NNc1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide?
The InChIKey is PRFJMBYQRZAIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-11-15(16(24-26-11)12-7-3-2-4-8-12)17(25)23-22-14-10-6-5-9-13(14)18(19,20)21/h2-10,22H,1H3,(H,23,25).
What are the key properties of 5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide?
5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide has a molecular weight of 361.32 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2811207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).