N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide

C49H27ClF13N9O9 — CID 167647208

About N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 167647208) has the molecular formula C49H27ClF13N9O9 and a molecular weight of 1168.24 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 167647208
• Molecular Formula: C49H27ClF13N9O9
• Molecular Weight: 1168.24 g/mol
• Exact Mass: 1167.14
• IUPAC Name: N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: O=C(Nc1nnc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(OC(F)(F)F)cc1.O=C(Nc1nnc(-c2cccc(Cl)c2)o1)c1ccc(OC(F)(F)F)cc1.O=C(Nc1nnc(-c2cccc(F)c2)o1)c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C17H9F6N3O3.C16H9ClF3N3O3.C16H9F4N3O3/c18-16(19,20)11-3-1-2-10(8-11)14-25-26-15(28-14)24-13(27)9-4-6-12(7-5-9)29-17(21,22)23;2*17-11-3-1-2-10(8-11)14-22-23-15(25-14)21-13(24)9-4-6-12(7-5-9)26-16(18,19)20/h1-8H,(H,24,26,27);2*1-8H,(H,21,23,24)
• InChIKey: QBAMXQGZKXEEKD-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 231.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.24
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 167647208) is N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(OC(F)(F)F)cc1.O=C(Nc1nnc(-c2cccc(Cl)c2)o1)c1ccc(OC(F)(F)F)cc1.O=C(Nc1nnc(-c2cccc(F)c2)o1)c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is QBAMXQGZKXEEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N3O3.C16H9ClF3N3O3.C16H9F4N3O3/c18-16(19,20)11-3-1-2-10(8-11)14-25-26-15(28-14)24-13(27)9-4-6-12(7-5-9)29-17(21,22)23;2*17-11-3-1-2-10(8-11)14-22-23-15(25-14)21-13(24)9-4-6-12(7-5-9)26-16(18,19)20/h1-8H,(H,24,26,27);2*1-8H,(H,21,23,24).

What are the key properties of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 1168.24 g/mol, XLogP of 13.47, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 167647208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).