1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C15H14F2N6O2 — CID 75374599

About 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 75374599) has the molecular formula C15H14F2N6O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
• PubChem CID: 75374599
• Molecular Formula: C15H14F2N6O2
• Molecular Weight: 348.31 g/mol
• Exact Mass: 348.11
• IUPAC Name: 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
• SMILES: Cc1nc(CNC(=O)Nc2ccc(-c3nccn3C(F)F)cc2)no1
• InChI: InChI=1S/C15H14F2N6O2/c1-9-20-12(22-25-9)8-19-15(24)21-11-4-2-10(3-5-11)13-18-6-7-23(13)14(16)17/h2-7,14H,8H2,1H3,(H2,19,21,24)
• InChIKey: YCJWSUGZWCVKER-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 97.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.31
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The IUPAC name of 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 75374599) is 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

What is the SMILES notation for 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The canonical SMILES for 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)Nc2ccc(-c3nccn3C(F)F)cc2)no1.

What is the InChIKey of 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The InChIKey is YCJWSUGZWCVKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2/c1-9-20-12(22-25-9)8-19-15(24)21-11-4-2-10(3-5-11)13-18-6-7-23(13)14(16)17/h2-7,14H,8H2,1H3,(H2,19,21,24).

What are the key properties of 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 348.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 75374599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).