1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea

C22H15Cl2FN4O3 — CID 155811601

About 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea

1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea (PubChem CID 155811601) has the molecular formula C22H15Cl2FN4O3 and a molecular weight of 473.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea
• PubChem CID: 155811601
• Molecular Formula: C22H15Cl2FN4O3
• Molecular Weight: 473.29 g/mol
• Exact Mass: 472.05
• IUPAC Name: 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea
• SMILES: O=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)c(F)c1)Nc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C22H15Cl2FN4O3/c23-16-8-6-14(10-17(16)24)26-22(30)27-15-7-9-19(18(25)11-15)31-12-20-28-29-21(32-20)13-4-2-1-3-5-13/h1-11H,12H2,(H2,26,27,30)
• InChIKey: RFJDJBDYBSNEEZ-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 89.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.29
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea?

The IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea (CID 155811601) is 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea.

What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea?

The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea is O=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)c(F)c1)Nc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea?

The InChIKey is RFJDJBDYBSNEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4O3/c23-16-8-6-14(10-17(16)24)26-22(30)27-15-7-9-19(18(25)11-15)31-12-20-28-29-21(32-20)13-4-2-1-3-5-13/h1-11H,12H2,(H2,26,27,30).

What are the key properties of 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea?

1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea has a molecular weight of 473.29 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea is sourced from PubChem (CID 155811601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).