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

C19H14ClF3N2O3 — CID 19443900

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

4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 19443900) has the molecular formula C19H14ClF3N2O3 and a molecular weight of 410.78 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19443900
• Molecular Formula: C19H14ClF3N2O3
• Molecular Weight: 410.78 g/mol
• Exact Mass: 410.06
• IUPAC Name: 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1onc(C(=O)Nc2ccccc2C(F)(F)F)c1COc1cccc(Cl)c1
• InChI: InChI=1S/C19H14ClF3N2O3/c1-11-14(10-27-13-6-4-5-12(20)9-13)17(25-28-11)18(26)24-16-8-3-2-7-15(16)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
• InChIKey: SQSFAVLEYLJHOH-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.78
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 19443900) is 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccccc2C(F)(F)F)c1COc1cccc(Cl)c1.

What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is SQSFAVLEYLJHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3/c1-11-14(10-27-13-6-4-5-12(20)9-13)17(25-28-11)18(26)24-16-8-3-2-7-15(16)19(21,22)23/h2-9H,10H2,1H3,(H,24,26).

What are the key properties of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).