5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole)

C124H93F5N38O7 — CID 160803862

About 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole)

5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole) (PubChem CID 160803862) has the molecular formula C124H93F5N38O7 and a molecular weight of 2322.36 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole).

Molecular Properties

• Compound Name: 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole)
• PubChem CID: 160803862
• Molecular Formula: C124H93F5N38O7
• Molecular Weight: 2322.36 g/mol
• Exact Mass: 2320.80
• IUPAC Name: 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole)
• SMILES: CC(=O)C(C)(C)NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCc1c(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4ccnc4)cc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C27H24FN7O2.3C25H17FN8O.C22H18FN7O2/c1-17(36)27(2,3)30-16-18-8-10-20(11-9-18)25-31-26(37-33-25)23-24(19-12-14-29-15-13-19)35(34-32-23)22-7-5-4-6-21(22)28;2*26-20-4-1-2-5-21(20)34-23(18-10-13-27-14-11-18)22(30-32-34)25-29-24(31-35-25)19-8-6-17(7-9-19)16-33-15-3-12-28-33;26-20-3-1-2-4-21(20)34-23(18-9-11-27-12-10-18)22(30-32-34)25-29-24(31-35-25)19-7-5-17(6-8-19)15-33-14-13-28-16-33;1-31-14-19-20(26-28-30(19)18-6-3-2-5-17(18)23)22-25-21(27-32-22)16-9-7-15(8-10-16)13-29-12-4-11-24-29/h4-15,30H,16H2,1-3H3;2*1-15H,16H2;1-14,16H,15H2;2-12H,13-14H2,1H3
• InChIKey: SDKVCNOYEPWPSM-UHFFFAOYSA-N
• XLogP: 21.45
• TPSA: 509.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 45
• Rotatable Bonds: 33
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.36
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole)?

The IUPAC name of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole) (CID 160803862) is 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole).

What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole)?

The canonical SMILES for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole) is CC(=O)C(C)(C)NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCc1c(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4ccnc4)cc3)no2)c1-c1ccncc1.

What is the InChIKey of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole)?

The InChIKey is SDKVCNOYEPWPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O2.3C25H17FN8O.C22H18FN7O2/c1-17(36)27(2,3)30-16-18-8-10-20(11-9-18)25-31-26(37-33-25)23-24(19-12-14-29-15-13-19)35(34-32-23)22-7-5-4-6-21(22)28;2*26-20-4-1-2-5-21(20)34-23(18-10-13-27-14-11-18)22(30-32-34)25-29-24(31-35-25)19-8-6-17(7-9-19)16-33-15-3-12-28-33;26-20-3-1-2-4-21(20)34-23(18-9-11-27-12-10-18)22(30-32-34)25-29-24(31-35-25)19-7-5-17(6-8-19)15-33-14-13-28-16-33;1-31-14-19-20(26-28-30(19)18-6-3-2-5-17(18)23)22-25-21(27-32-22)16-9-7-15(8-10-16)13-29-12-4-11-24-29/h4-15,30H,16H2,1-3H3;2*1-15H,16H2;1-14,16H,15H2;2-12H,13-14H2,1H3.

What are the key properties of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole)?

5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole) has a molecular weight of 2322.36 g/mol, XLogP of 21.45, 33 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-3-methylbutan-2-one;bis(5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole) is sourced from PubChem (CID 160803862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).