N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one

C109H120F14N20O15 — CID 158005676

About N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one (PubChem CID 158005676) has the molecular formula C109H120F14N20O15 and a molecular weight of 2216.26 g/mol. Its IUPAC name is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one.

Molecular Properties

• Compound Name: N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one
• PubChem CID: 158005676
• Molecular Formula: C109H120F14N20O15
• Molecular Weight: 2216.26 g/mol
• Exact Mass: 2214.90
• IUPAC Name: N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one
• SMILES: C#CC(C)(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.C=C(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.CC(C)CC(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.CCC(=O)CCc1ccc(-c2noc(C(C)(F)F)n2)cc1.CCC(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.CCCC(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.COC(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1
• InChI: InChI=1S/C17H17F2N3O2.2C16H19F2N3O2.C15H17F2N3O3.C15H15F2N3O2.C15H17F2N3O2.C15H16F2N2O2/c1-5-16(2,3)14(23)20-10-11-6-8-12(9-7-11)13-21-15(24-22-13)17(4,18)19;1-10(2)8-13(22)19-9-11-4-6-12(7-5-11)14-20-15(23-21-14)16(3,17)18;1-4-10(2)14(22)19-9-11-5-7-12(8-6-11)13-20-15(23-21-13)16(3,17)18;1-9(22-3)13(21)18-8-10-4-6-11(7-5-10)12-19-14(23-20-12)15(2,16)17;1-9(2)13(21)18-8-10-4-6-11(7-5-10)12-19-14(22-20-12)15(3,16)17;1-3-4-12(21)18-9-10-5-7-11(8-6-10)13-19-14(22-20-13)15(2,16)17;1-3-12(20)9-6-10-4-7-11(8-5-10)13-18-14(21-19-13)15(2,16)17/h1,6-9H,10H2,2-4H3,(H,20,23);4-7,10H,8-9H2,1-3H3,(H,19,22);5-8,10H,4,9H2,1-3H3,(H,19,22);4-7,9H,8H2,1-3H3,(H,18,21);4-7H,1,8H2,2-3H3,(H,18,21);5-8H,3-4,9H2,1-2H3,(H,18,21);4-5,7-8H,3,6,9H2,1-2H3
• InChIKey: FEGLQRCBNDVMDP-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 473.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2216.26
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one?

The IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one (CID 158005676) is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one.

What is the SMILES notation for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one?

The canonical SMILES for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one is C#CC(C)(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.C=C(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.CC(C)CC(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.CCC(=O)CCc1ccc(-c2noc(C(C)(F)F)n2)cc1.CCC(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.CCCC(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.COC(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.

What is the InChIKey of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one?

The InChIKey is FEGLQRCBNDVMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2.2C16H19F2N3O2.C15H17F2N3O3.C15H15F2N3O2.C15H17F2N3O2.C15H16F2N2O2/c1-5-16(2,3)14(23)20-10-11-6-8-12(9-7-11)13-21-15(24-22-13)17(4,18)19;1-10(2)8-13(22)19-9-11-4-6-12(7-5-11)14-20-15(23-21-14)16(3,17)18;1-4-10(2)14(22)19-9-11-5-7-12(8-6-11)13-20-15(23-21-13)16(3,17)18;1-9(22-3)13(21)18-8-10-4-6-11(7-5-10)12-19-14(23-20-12)15(2,16)17;1-9(2)13(21)18-8-10-4-6-11(7-5-10)12-19-14(22-20-12)15(3,16)17;1-3-4-12(21)18-9-10-5-7-11(8-6-10)13-19-14(22-20-13)15(2,16)17;1-3-12(20)9-6-10-4-7-11(8-5-10)13-18-14(21-19-13)15(2,16)17/h1,6-9H,10H2,2-4H3,(H,20,23);4-7,10H,8-9H2,1-3H3,(H,19,22);5-8,10H,4,9H2,1-3H3,(H,19,22);4-7,9H,8H2,1-3H3,(H,18,21);4-7H,1,8H2,2-3H3,(H,18,21);5-8H,3-4,9H2,1-2H3,(H,18,21);4-5,7-8H,3,6,9H2,1-2H3.

What are the key properties of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one?

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one has a molecular weight of 2216.26 g/mol, XLogP of 22.71, 40 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2,2-dimethylbut-3-ynamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylbutanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylprop-2-enamide;1-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentan-3-one is sourced from PubChem (CID 158005676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).