2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide

C21H14F3N3O4 — CID 146494232

About 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide

2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide (PubChem CID 146494232) has the molecular formula C21H14F3N3O4 and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide.

Molecular Properties

• Compound Name: 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide
• PubChem CID: 146494232
• Molecular Formula: C21H14F3N3O4
• Molecular Weight: 429.35 g/mol
• Exact Mass: 429.09
• IUPAC Name: 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide
• SMILES: Cc1ccc(OC(F)F)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccc2F)c1
• InChI: InChI=1S/C21H14F3N3O4/c1-11-4-7-16(30-21(23)24)13(9-11)18(28)25-15-10-12(5-6-14(15)22)19-26-27-20(31-19)17-3-2-8-29-17/h2-10,21H,1H3,(H,25,28)
• InChIKey: DTXMCVXSMCNJGK-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.35
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide?

The IUPAC name of 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide (CID 146494232) is 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide.

What is the SMILES notation for 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide?

The canonical SMILES for 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide is Cc1ccc(OC(F)F)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccc2F)c1.

What is the InChIKey of 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide?

The InChIKey is DTXMCVXSMCNJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4/c1-11-4-7-16(30-21(23)24)13(9-11)18(28)25-15-10-12(5-6-14(15)22)19-26-27-20(31-19)17-3-2-8-29-17/h2-10,21H,1H3,(H,25,28).

What are the key properties of 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide?

2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide has a molecular weight of 429.35 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide is sourced from PubChem (CID 146494232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).