3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C102H69F7N30O8 — CID 157165987

About 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 157165987) has the molecular formula C102H69F7N30O8 and a molecular weight of 1975.86 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 157165987
• Molecular Formula: C102H69F7N30O8
• Molecular Weight: 1975.86 g/mol
• Exact Mass: 1974.58
• IUPAC Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CC(C)c1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)nnn1-c1ccccc1F.COc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccn2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccncc3)no2)c1-c1ccccn1.Oc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
• InChI: InChI=1S/C22H15FN6O2.C21H13FN6O2.C20H12FN7O.C20H15FN6O2.C19H14F3N5O/c1-30-18-12-5-2-8-14(18)21-25-22(31-27-21)19-20(16-10-6-7-13-24-16)29(28-26-19)17-11-4-3-9-15(17)23;22-16-3-1-2-4-17(16)28-19(13-9-11-23-12-10-13)18(25-27-28)21-24-20(26-30-21)14-5-7-15(29)8-6-14;21-14-5-1-2-7-16(14)28-18(15-6-3-4-10-23-15)17(25-27-28)20-24-19(26-29-20)13-8-11-22-12-9-13;1-28-11-17-18(24-26-27(17)16-5-3-2-4-14(16)21)20-23-19(25-29-20)13-6-7-15-12(10-13)8-9-22-15;1-10(2)17-16(24-26-27(17)15-6-4-3-5-14(15)22)19-23-18(25-28-19)12-9-11(20)7-8-13(12)21/h2-13H,1H3;1-12,29H;1-12H;2-10,22H,11H2,1H3;3-10H,1-2H3
• InChIKey: AMXMRYLPAQKIBO-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 454.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1975.86
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 157165987) is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)c1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)nnn1-c1ccccc1F.COc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccn2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccncc3)no2)c1-c1ccccn1.Oc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.

What is the InChIKey of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is AMXMRYLPAQKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O2.C21H13FN6O2.C20H12FN7O.C20H15FN6O2.C19H14F3N5O/c1-30-18-12-5-2-8-14(18)21-25-22(31-27-21)19-20(16-10-6-7-13-24-16)29(28-26-19)17-11-4-3-9-15(17)23;22-16-3-1-2-4-17(16)28-19(13-9-11-23-12-10-13)18(25-27-28)21-24-20(26-30-21)14-5-7-15(29)8-6-14;21-14-5-1-2-7-16(14)28-18(15-6-3-4-10-23-15)17(25-27-28)20-24-19(26-29-20)13-8-11-22-12-9-13;1-28-11-17-18(24-26-27(17)16-5-3-2-4-14(16)21)20-23-19(25-29-20)13-6-7-15-12(10-13)8-9-22-15;1-10(2)17-16(24-26-27(17)15-6-4-3-5-14(15)22)19-23-18(25-28-19)12-9-11(20)7-8-13(12)21/h2-13H,1H3;1-12,29H;1-12H;2-10,22H,11H2,1H3;3-10H,1-2H3.

What are the key properties of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1975.86 g/mol, XLogP of 19.94, 22 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157165987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).