3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C₁₀H₇ClF₃NO — CID 141321779

About 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 141321779) has the molecular formula C₁₀H₇ClF₃NO and a molecular weight of 249.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
• PubChem CID: 141321779
• Molecular Formula: C₁₀H₇ClF₃NO
• Molecular Weight: 249.62 g/mol
• Exact Mass: 249.02
• IUPAC Name: 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
• SMILES: FC(F)(F)C1CC(c2ccc(Cl)cc2)=NO1
• InChI: InChI=1S/C10H7ClF3NO/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9H,5H2
• InChIKey: QSVJARQDTPIEAY-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.62
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?

The IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 141321779) is 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

What is the SMILES notation for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?

The canonical SMILES for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is FC(F)(F)C1CC(c2ccc(Cl)cc2)=NO1.

What is the InChIKey of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?

The InChIKey is QSVJARQDTPIEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9H,5H2.

What are the key properties of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?

3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 249.62 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 141321779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141321779 — identifiers, structure, computed properties (public domain)

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