3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole

C100H72F9N29O7 — CID 158889798

About 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole

3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 158889798) has the molecular formula C100H72F9N29O7 and a molecular weight of 1962.85 g/mol. Its IUPAC name is 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole
• PubChem CID: 158889798
• Molecular Formula: C100H72F9N29O7
• Molecular Weight: 1962.85 g/mol
• Exact Mass: 1961.60
• IUPAC Name: 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole
• SMILES: CN(C)Cc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3cccc4c3C=CC4)no2)nnn1-c1ccccc1F.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CN3CCCC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccco3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(C3=CCC=C3)no2)c1-c1ccncc1
• InChI: InChI=1S/C21H17F3N6O.C21H16FN5O2.C20H13FN6O.C19H15F3N6O.C19H11FN6O2/c22-13-7-8-15(23)14(11-13)20-25-21(31-27-20)19-18(12-29-9-3-4-10-29)30(28-26-19)17-6-2-1-5-16(17)24;1-28-12-18-19(24-26-27(18)17-11-3-2-10-16(17)22)21-23-20(25-29-21)15-9-5-7-13-6-4-8-14(13)15;21-15-7-3-4-8-16(15)27-18(13-9-11-22-12-10-13)17(24-26-27)20-23-19(25-28-20)14-5-1-2-6-14;1-27(2)10-16-17(24-26-28(16)15-6-4-3-5-14(15)22)19-23-18(25-29-19)12-9-11(20)7-8-13(12)21;20-13-4-1-2-5-14(13)26-17(12-7-9-21-10-8-12)16(23-25-26)19-22-18(24-28-19)15-6-3-11-27-15/h1-2,5-8,11H,3-4,9-10,12H2;2-5,7-11H,6,12H2,1H3;1,3-12H,2H2;3-9H,10H2,1-2H3;1-11H
• InChIKey: JEBVFRSPPCFLPP-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 402.78 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.85
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole?

The IUPAC name of 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 158889798) is 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole.

What is the SMILES notation for 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole?

The canonical SMILES for 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole is CN(C)Cc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3cccc4c3C=CC4)no2)nnn1-c1ccccc1F.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CN3CCCC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccco3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(C3=CCC=C3)no2)c1-c1ccncc1.

What is the InChIKey of 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole?

The InChIKey is JEBVFRSPPCFLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O.C21H16FN5O2.C20H13FN6O.C19H15F3N6O.C19H11FN6O2/c22-13-7-8-15(23)14(11-13)20-25-21(31-27-20)19-18(12-29-9-3-4-10-29)30(28-26-19)17-6-2-1-5-16(17)24;1-28-12-18-19(24-26-27(18)17-11-3-2-10-16(17)22)21-23-20(25-29-21)15-9-5-7-13-6-4-8-14(13)15;21-15-7-3-4-8-16(15)27-18(13-9-11-22-12-10-13)17(24-26-27)20-23-19(25-28-20)14-5-1-2-6-14;1-27(2)10-16-17(24-26-28(16)15-6-4-3-5-14(15)22)19-23-18(25-29-19)12-9-11(20)7-8-13(12)21;20-13-4-1-2-5-14(13)26-17(12-7-9-21-10-8-12)16(23-25-26)19-22-18(24-28-19)15-6-3-11-27-15/h1-2,5-8,11H,3-4,9-10,12H2;2-5,7-11H,6,12H2,1H3;1,3-12H,2H2;3-9H,10H2,1-2H3;1-11H.

What are the key properties of 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole?

3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 1962.85 g/mol, XLogP of 18.94, 23 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)triazol-4-yl]-1,2,4-oxadiazole;1-[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-inden-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 158889798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).