N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H23F2N3O3 — CID 55889614

About N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55889614) has the molecular formula C25H23F2N3O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 55889614
• Molecular Formula: C25H23F2N3O3
• Molecular Weight: 451.47 g/mol
• Exact Mass: 451.17
• IUPAC Name: N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CC(C)c1ccc(-c2noc(CCC(=O)N(Cc3ccco3)c3ccc(F)cc3F)n2)cc1
• InChI: InChI=1S/C25H23F2N3O3/c1-16(2)17-5-7-18(8-6-17)25-28-23(33-29-25)11-12-24(31)30(15-20-4-3-13-32-20)22-10-9-19(26)14-21(22)27/h3-10,13-14,16H,11-12,15H2,1-2H3
• InChIKey: WLENWNTYNXMGMV-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.47
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55889614) is N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(-c2noc(CCC(=O)N(Cc3ccco3)c3ccc(F)cc3F)n2)cc1.

What is the InChIKey of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is WLENWNTYNXMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c1-16(2)17-5-7-18(8-6-17)25-28-23(33-29-25)11-12-24(31)30(15-20-4-3-13-32-20)22-10-9-19(26)14-21(22)27/h3-10,13-14,16H,11-12,15H2,1-2H3.

What are the key properties of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 451.47 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55889614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).