1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C19H17F3N4O2 — CID 167936648

About 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 167936648) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
• PubChem CID: 167936648
• Molecular Formula: C19H17F3N4O2
• Molecular Weight: 390.37 g/mol
• Exact Mass: 390.13
• IUPAC Name: 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
• SMILES: Cc1nc(C(NC(=O)NC(c2ccccc2)C(F)F)c2ccccc2F)no1
• InChI: InChI=1S/C19H17F3N4O2/c1-11-23-18(26-28-11)16(13-9-5-6-10-14(13)20)25-19(27)24-15(17(21)22)12-7-3-2-4-8-12/h2-10,15-17H,1H3,(H2,24,25,27)
• InChIKey: BTIYEZGVTKZLNO-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.37
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The IUPAC name of 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 167936648) is 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

What is the SMILES notation for 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The canonical SMILES for 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(C(NC(=O)NC(c2ccccc2)C(F)F)c2ccccc2F)no1.

What is the InChIKey of 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The InChIKey is BTIYEZGVTKZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11-23-18(26-28-11)16(13-9-5-6-10-14(13)20)25-19(27)24-15(17(21)22)12-7-3-2-4-8-12/h2-10,15-17H,1H3,(H2,24,25,27).

What are the key properties of 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 390.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 167936648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).