3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

C64H46F3N11O12 — CID 159430521

About 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (PubChem CID 159430521) has the molecular formula C64H46F3N11O12 and a molecular weight of 1218.13 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

Molecular Properties

• Compound Name: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• PubChem CID: 159430521
• Molecular Formula: C64H46F3N11O12
• Molecular Weight: 1218.13 g/mol
• Exact Mass: 1217.33
• IUPAC Name: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• SMILES: O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ccccn1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCOCC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)Oc1ccccc1
• InChI: InChI=1S/C22H14FN3O4.C21H14FN5O3.C21H18FN3O5/c23-18-12-5-4-11-17(18)21-24-19(26-30-21)14-7-6-8-15(13-14)20(27)25-22(28)29-16-9-2-1-3-10-16;22-16-9-2-1-8-15(16)20-25-18(27-30-20)13-6-5-7-14(12-13)19(28)26-21(29)24-17-10-3-4-11-23-17;22-17-7-2-1-6-16(17)20-23-18(25-30-20)13-4-3-5-14(12-13)19(26)24-21(27)29-15-8-10-28-11-9-15/h1-13H,(H,25,27,28);1-12H,(H2,23,24,26,28,29);1-7,12,15H,8-11H2,(H,24,26,27)
• InChIKey: LQXRXAWVOXQPIQ-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 307.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1218.13
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (CID 159430521) is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The canonical SMILES for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ccccn1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCOCC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)Oc1ccccc1.

What is the InChIKey of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The InChIKey is LQXRXAWVOXQPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3O4.C21H14FN5O3.C21H18FN3O5/c23-18-12-5-4-11-17(18)21-24-19(26-30-21)14-7-6-8-15(13-14)20(27)25-22(28)29-16-9-2-1-3-10-16;22-16-9-2-1-8-15(16)20-25-18(27-30-20)13-6-5-7-14(12-13)19(28)26-21(29)24-17-10-3-4-11-23-17;22-17-7-2-1-6-16(17)20-23-18(25-30-20)13-4-3-5-14(12-13)19(26)24-21(27)29-15-8-10-28-11-9-15/h1-13H,(H,25,27,28);1-12H,(H2,23,24,26,28,29);1-7,12,15H,8-11H2,(H,24,26,27).

What are the key properties of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate has a molecular weight of 1218.13 g/mol, XLogP of 11.96, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyridin-2-ylcarbamoyl)benzamide;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;phenyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is sourced from PubChem (CID 159430521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).