cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C131H100F5N39O9 — CID 159115573

About cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 159115573) has the molecular formula C131H100F5N39O9 and a molecular weight of 2459.49 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 159115573
• Molecular Formula: C131H100F5N39O9
• Molecular Weight: 2459.49 g/mol
• Exact Mass: 2457.85
• IUPAC Name: cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• SMILES: Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4ccnc4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cncn4)cc3)no2)c1-c1ccncc1.O=C(O)C1CCC(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.O=C(O)[C@H]1CC[C@@H](NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1
• InChI: InChI=1S/C29H26FN7O3.C28H24FN7O3.2C25H17FN8O.C24H16FN9O/c30-23-3-1-2-4-24(23)37-26(19-13-15-31-16-14-19)25(34-36-37)28-33-27(35-40-28)20-7-5-18(6-8-20)17-32-22-11-9-21(10-12-22)29(38)39;29-22-3-1-2-4-23(22)36-25(18-11-13-30-14-12-18)24(33-35-36)27-32-26(34-39-27)19-7-5-17(6-8-19)16-31-21-10-9-20(15-21)28(37)38;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;25-19-3-1-2-4-20(19)34-22(17-9-11-26-12-10-17)21(30-32-34)24-29-23(31-35-24)18-7-5-16(6-8-18)13-33-15-27-14-28-33/h1-8,13-16,21-22,32H,9-12,17H2,(H,38,39);1-8,11-14,20-21,31H,9-10,15-16H2,(H,37,38);1-15H,16H2;1-14,16H,15H2;1-12,14-15H,13H2/t;20-,21+;;;/m.0.../s1
• InChIKey: KFAODOMSMZLLSG-DSVVRTKMSA-N
• XLogP: 22.13
• TPSA: 577.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.49
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 159115573) is cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4ccnc4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cncn4)cc3)no2)c1-c1ccncc1.O=C(O)C1CCC(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.O=C(O)[C@H]1CC[C@@H](NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.

What is the InChIKey of cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is KFAODOMSMZLLSG-DSVVRTKMSA-N. The full InChI is InChI=1S/C29H26FN7O3.C28H24FN7O3.2C25H17FN8O.C24H16FN9O/c30-23-3-1-2-4-24(23)37-26(19-13-15-31-16-14-19)25(34-36-37)28-33-27(35-40-28)20-7-5-18(6-8-20)17-32-22-11-9-21(10-12-22)29(38)39;29-22-3-1-2-4-23(22)36-25(18-11-13-30-14-12-18)24(33-35-36)27-32-26(34-39-27)19-7-5-17(6-8-19)16-31-21-10-9-20(15-21)28(37)38;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;25-19-3-1-2-4-20(19)34-22(17-9-11-26-12-10-17)21(30-32-34)24-29-23(31-35-24)18-7-5-16(6-8-18)13-33-15-27-14-28-33/h1-8,13-16,21-22,32H,9-12,17H2,(H,38,39);1-8,11-14,20-21,31H,9-10,15-16H2,(H,37,38);1-15H,16H2;1-14,16H,15H2;1-12,14-15H,13H2/t;20-,21+;;;/m.0.../s1.

What are the key properties of cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2459.49 g/mol, XLogP of 22.13, 34 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid;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-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159115573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).