N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide

C65H70F8N12O13 — CID 160795597

About N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide (PubChem CID 160795597) has the molecular formula C65H70F8N12O13 and a molecular weight of 1379.33 g/mol. Its IUPAC name is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide.

Molecular Properties

• Compound Name: N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide
• PubChem CID: 160795597
• Molecular Formula: C65H70F8N12O13
• Molecular Weight: 1379.33 g/mol
• Exact Mass: 1378.51
• IUPAC Name: N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide
• SMILES: C#CCCC(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)OC.C=C(C)C(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)OC.COC(C)C(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)OC.CON(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)C(=O)C1CC1
• InChI: InChI=1S/C17H17F2N3O3.C16H19F2N3O4.2C16H17F2N3O3/c1-4-5-6-14(23)22(24-3)11-12-7-9-13(10-8-12)15-20-16(25-21-15)17(2,18)19;1-10(23-3)14(22)21(24-4)9-11-5-7-12(8-6-11)13-19-15(25-20-13)16(2,17)18;1-16(17,18)15-19-13(20-24-15)11-5-3-10(4-6-11)9-21(23-2)14(22)12-7-8-12;1-10(2)14(22)21(23-4)9-11-5-7-12(8-6-11)13-19-15(24-20-13)16(3,17)18/h1,7-10H,5-6,11H2,2-3H3;5-8,10H,9H2,1-4H3;3-6,12H,7-9H2,1-2H3;5-8H,1,9H2,2-4H3
• InChIKey: SCKANTCBAZCXNF-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 283.07 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1379.33
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide?

The IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide (CID 160795597) is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide.

What is the SMILES notation for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide?

The canonical SMILES for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide is C#CCCC(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)OC.C=C(C)C(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)OC.COC(C)C(=O)N(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)OC.CON(Cc1ccc(-c2noc(C(C)(F)F)n2)cc1)C(=O)C1CC1.

What is the InChIKey of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide?

The InChIKey is SCKANTCBAZCXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3.C16H19F2N3O4.2C16H17F2N3O3/c1-4-5-6-14(23)22(24-3)11-12-7-9-13(10-8-12)15-20-16(25-21-15)17(2,18)19;1-10(23-3)14(22)21(24-4)9-11-5-7-12(8-6-11)13-19-15(25-20-13)16(2,17)18;1-16(17,18)15-19-13(20-24-15)11-5-3-10(4-6-11)9-21(23-2)14(22)12-7-8-12;1-10(2)14(22)21(23-4)9-11-5-7-12(8-6-11)13-19-15(24-20-13)16(3,17)18/h1,7-10H,5-6,11H2,2-3H3;5-8,10H,9H2,1-4H3;3-6,12H,7-9H2,1-2H3;5-8H,1,9H2,2-4H3.

What are the key properties of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide?

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide has a molecular weight of 1379.33 g/mol, XLogP of 12.39, 26 rotatable bonds, 0 hydrogen bond donors, and 21 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]-N,2-dimethoxypropanamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxy-2-methylprop-2-enamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypent-4-ynamide is sourced from PubChem (CID 160795597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).