N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

C76H54F7N13O13 — CID 158780640

About N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl 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;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (PubChem CID 158780640) has the molecular formula C76H54F7N13O13 and a molecular weight of 1490.33 g/mol. Its IUPAC name is N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl 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;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• PubChem CID: 158780640
• Molecular Formula: C76H54F7N13O13
• Molecular Weight: 1490.33 g/mol
• Exact Mass: 1489.39
• IUPAC Name: N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl 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.CC(OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccncc1.O=C(NC(=O)C(F)(F)F)c1cccc(-c2noc(-c3ccccc3F)n2)c1
• InChI: InChI=1S/C23H17FN4O4.C19H16FN3O3.C17H9F4N3O3.C17H12FN3O3/c1-14(15-9-11-25-12-10-15)31-23(30)27-21(29)17-6-4-5-16(13-17)20-26-22(32-28-20)18-7-2-3-8-19(18)24;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;18-12-7-2-1-6-11(12)15-22-13(24-27-15)9-4-3-5-10(8-9)14(25)23-16(26)17(19,20)21;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/h2-14H,1H3,(H,27,29,30);3-11H,1-2H3,(H,22,24,25);1-8H,(H,23,25,26);2-9H,1H3,(H,19,22,23)
• InChIKey: IRANZAOTXRCIJY-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 362.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.33
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl 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;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (CID 158780640) is N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl 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;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl 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;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl 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.CC(OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccncc1.O=C(NC(=O)C(F)(F)F)c1cccc(-c2noc(-c3ccccc3F)n2)c1.

What is the InChIKey of N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The InChIKey is IRANZAOTXRCIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O4.C19H16FN3O3.C17H9F4N3O3.C17H12FN3O3/c1-14(15-9-11-25-12-10-15)31-23(30)27-21(29)17-6-4-5-16(13-17)20-26-22(32-28-20)18-7-2-3-8-19(18)24;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;18-12-7-2-1-6-11(12)15-22-13(24-27-15)9-4-3-5-10(8-9)14(25)23-16(26)17(19,20)21;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/h2-14H,1H3,(H,27,29,30);3-11H,1-2H3,(H,22,24,25);1-8H,(H,23,25,26);2-9H,1H3,(H,19,22,23).

What are the key properties of N-acetyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl 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;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate has a molecular weight of 1490.33 g/mol, XLogP of 14.20, 15 rotatable bonds, 4 hydrogen bond donors, and 22 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;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropanoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is sourced from PubChem (CID 158780640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).