1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea

C19H15ClF3N3O2 — CID 151703950

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea (PubChem CID 151703950) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea
• PubChem CID: 151703950
• Molecular Formula: C19H15ClF3N3O2
• Molecular Weight: 409.80 g/mol
• Exact Mass: 409.08
• IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea
• SMILES: Cc1cc(-c2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)no1
• InChI: InChI=1S/C19H15ClF3N3O2/c1-10-3-4-12(8-14(10)17-7-11(2)28-26-17)24-18(27)25-13-5-6-16(20)15(9-13)19(21,22)23/h3-9H,1-2H3,(H2,24,25,27)
• InChIKey: RFEJXWHEEMOACO-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.80
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea?

The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea (CID 151703950) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea.

What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea?

The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea is Cc1cc(-c2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)no1.

What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea?

The InChIKey is RFEJXWHEEMOACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-10-3-4-12(8-14(10)17-7-11(2)28-26-17)24-18(27)25-13-5-6-16(20)15(9-13)19(21,22)23/h3-9H,1-2H3,(H2,24,25,27).

What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea?

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea has a molecular weight of 409.80 g/mol, XLogP of 6.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea is sourced from PubChem (CID 151703950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).