N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

C104H83F5N18O21 — CID 160616912

About N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (PubChem CID 160616912) has the molecular formula C104H83F5N18O21 and a molecular weight of 2015.90 g/mol. Its IUPAC name is N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

Molecular Properties

• Compound Name: N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• PubChem CID: 160616912
• Molecular Formula: C104H83F5N18O21
• Molecular Weight: 2015.90 g/mol
• Exact Mass: 2014.59
• IUPAC Name: N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• SMILES: CC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CC(C)C(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CN1C(=O)C[C@H](OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)C1=O.C[C@@H](OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)C(N)=O.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C28H25FN4O4.C21H15FN4O6.C19H15FN4O5.C19H16FN3O3.C17H12FN3O3/c29-24-12-5-4-11-23(24)27-30-25(32-37-27)20-9-6-10-21(17-20)26(34)31-28(35)36-22-13-15-33(16-14-22)18-19-7-2-1-3-8-19;1-26-16(27)10-15(20(26)29)31-21(30)24-18(28)12-6-4-5-11(9-12)17-23-19(32-25-17)13-7-2-3-8-14(13)22;1-10(15(21)25)28-19(27)23-17(26)12-6-4-5-11(9-12)16-22-18(29-24-16)13-7-2-3-8-14(13)20;1-11(2)17(24)22-18(25)13-7-5-6-12(10-13)16-21-19(26-23-16)14-8-3-4-9-15(14)20;1-10(22)19-16(23)12-6-4-5-11(9-12)15-20-17(24-21-15)13-7-2-3-8-14(13)18/h1-12,17,22H,13-16,18H2,(H,31,34,35);2-9,15H,10H2,1H3,(H,24,28,30);2-10H,1H3,(H2,21,25)(H,23,26,27);3-11H,1-2H3,(H,22,24,25);2-9H,1H3,(H,19,22,23)/t;15-;10-;;/m.01../s1
• InChIKey: RGFDSJIYEFXNAB-OPWKAGDYSA-N
• XLogP: 15.80
• TPSA: 536.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2015.90
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The IUPAC name of N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (CID 160616912) is N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

What is the SMILES notation for N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The canonical SMILES for N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is CC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CC(C)C(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CN1C(=O)C[C@H](OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)C1=O.C[C@@H](OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)C(N)=O.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCN(Cc2ccccc2)CC1.

What is the InChIKey of N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The InChIKey is RGFDSJIYEFXNAB-OPWKAGDYSA-N. The full InChI is InChI=1S/C28H25FN4O4.C21H15FN4O6.C19H15FN4O5.C19H16FN3O3.C17H12FN3O3/c29-24-12-5-4-11-23(24)27-30-25(32-37-27)20-9-6-10-21(17-20)26(34)31-28(35)36-22-13-15-33(16-14-22)18-19-7-2-1-3-8-19;1-26-16(27)10-15(20(26)29)31-21(30)24-18(28)12-6-4-5-11(9-12)17-23-19(32-25-17)13-7-2-3-8-14(13)22;1-10(15(21)25)28-19(27)23-17(26)12-6-4-5-11(9-12)16-22-18(29-24-16)13-7-2-3-8-14(13)20;1-11(2)17(24)22-18(25)13-7-5-6-12(10-13)16-21-19(26-23-16)14-8-3-4-9-15(14)20;1-10(22)19-16(23)12-6-4-5-11(9-12)15-20-17(24-21-15)13-7-2-3-8-14(13)18/h1-12,17,22H,13-16,18H2,(H,31,34,35);2-9,15H,10H2,1H3,(H,24,28,30);2-10H,1H3,(H2,21,25)(H,23,26,27);3-11H,1-2H3,(H,22,24,25);2-9H,1H3,(H,19,22,23)/t;15-;10-;;/m.01../s1.

What are the key properties of N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate has a molecular weight of 2015.90 g/mol, XLogP of 15.80, 22 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;[(2R)-1-amino-1-oxopropan-2-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-benzylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is sourced from PubChem (CID 160616912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).