N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide

C30H32F3N5O3 — CID 166976783

About N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide (PubChem CID 166976783) has the molecular formula C30H32F3N5O3 and a molecular weight of 567.61 g/mol. Its IUPAC name is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide.

Molecular Properties

• Compound Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide
• PubChem CID: 166976783
• Molecular Formula: C30H32F3N5O3
• Molecular Weight: 567.61 g/mol
• Exact Mass: 567.25
• IUPAC Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide
• SMILES: C=C(CCF)C(=O)N(CC12CCC(c3noc(C4CC4(F)F)n3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1
• InChI: InChI=1S/C30H32F3N5O3/c1-18(7-14-31)26(39)38(21-4-2-3-20(15-21)24-34-23(36-40-24)19-5-6-19)17-28-8-11-29(12-9-28,13-10-28)27-35-25(41-37-27)22-16-30(22,32)33/h2-4,15,19,22H,1,5-14,16-17H2
• InChIKey: WIZJXKMFEJOUBP-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.61
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide?

The IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide (CID 166976783) is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide.

What is the SMILES notation for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide?

The canonical SMILES for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide is C=C(CCF)C(=O)N(CC12CCC(c3noc(C4CC4(F)F)n3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1.

What is the InChIKey of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide?

The InChIKey is WIZJXKMFEJOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O3/c1-18(7-14-31)26(39)38(21-4-2-3-20(15-21)24-34-23(36-40-24)19-5-6-19)17-28-8-11-29(12-9-28,13-10-28)27-35-25(41-37-27)22-16-30(22,32)33/h2-4,15,19,22H,1,5-14,16-17H2.

What are the key properties of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide?

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide has a molecular weight of 567.61 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-2-methylidenebutanamide is sourced from PubChem (CID 166976783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).