3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole

C163H145F6N41O7 — CID 160800265

About 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole

3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole (PubChem CID 160800265) has the molecular formula C163H145F6N41O7 and a molecular weight of 2904.22 g/mol. Its IUPAC name is 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole
• PubChem CID: 160800265
• Molecular Formula: C163H145F6N41O7
• Molecular Weight: 2904.22 g/mol
• Exact Mass: 2902.22
• IUPAC Name: 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole
• SMILES: CC(=O)CC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CC1CCN(Cc2cccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)c2)C1.CC1CN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.CCC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CCCCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCC4)cc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C30H28FN7O2.C29H28FN7O.C27H24FN7O.C26H22FN7O.C26H23FN6O.C25H20FN7O/c1-20(39)18-21-12-16-37(17-13-21)19-22-6-8-24(9-7-22)29-33-30(40-35-29)27-28(23-10-14-32-15-11-23)38(36-34-27)26-5-3-2-4-25(26)31;1-2-20-13-17-36(18-14-20)19-21-7-9-23(10-8-21)28-32-29(38-34-28)26-27(22-11-15-31-16-12-22)37(35-33-26)25-6-4-3-5-24(25)30;1-18-11-14-34(16-18)17-19-5-4-6-21(15-19)26-30-27(36-32-26)24-25(20-9-12-29-13-10-20)35(33-31-24)23-8-3-2-7-22(23)28;1-17-14-33(15-17)16-18-6-8-20(9-7-18)25-29-26(35-31-25)23-24(19-10-12-28-13-11-19)34(32-30-23)22-5-3-2-4-21(22)27;1-2-3-4-7-18-10-12-20(13-11-18)25-29-26(34-31-25)23-24(19-14-16-28-17-15-19)33(32-30-23)22-9-6-5-8-21(22)27;26-20-4-1-2-5-21(20)33-23(18-10-12-27-13-11-18)22(29-31-33)25-28-24(30-34-25)19-8-6-17(7-9-19)16-32-14-3-15-32/h2-11,14-15,21H,12-13,16-19H2,1H3;3-12,15-16,20H,2,13-14,17-19H2,1H3;2-10,12-13,15,18H,11,14,16-17H2,1H3;2-13,17H,14-16H2,1H3;5-6,8-17H,2-4,7H2,1H3;1-2,4-13H,3,14-16H2
• InChIKey: SCZDVKHEXZRKRC-UHFFFAOYSA-N
• XLogP: 31.16
• TPSA: 528.39 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 41
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2904.22
LogP ≤ 5	31.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole?

The IUPAC name of 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole (CID 160800265) is 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole is CC(=O)CC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CC1CCN(Cc2cccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)c2)C1.CC1CN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.CCC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.CCCCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCC4)cc3)no2)c1-c1ccncc1.

What is the InChIKey of 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole?

The InChIKey is SCZDVKHEXZRKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7O2.C29H28FN7O.C27H24FN7O.C26H22FN7O.C26H23FN6O.C25H20FN7O/c1-20(39)18-21-12-16-37(17-13-21)19-22-6-8-24(9-7-22)29-33-30(40-35-29)27-28(23-10-14-32-15-11-23)38(36-34-27)26-5-3-2-4-25(26)31;1-2-20-13-17-36(18-14-20)19-21-7-9-23(10-8-21)28-32-29(38-34-28)26-27(22-11-15-31-16-12-22)37(35-33-26)25-6-4-3-5-24(25)30;1-18-11-14-34(16-18)17-19-5-4-6-21(15-19)26-30-27(36-32-26)24-25(20-9-12-29-13-10-20)35(33-31-24)23-8-3-2-7-22(23)28;1-17-14-33(15-17)16-18-6-8-20(9-7-18)25-29-26(35-31-25)23-24(19-10-12-28-13-11-19)34(32-30-23)22-5-3-2-4-21(22)27;1-2-3-4-7-18-10-12-20(13-11-18)25-29-26(34-31-25)23-24(19-14-16-28-17-15-19)33(32-30-23)22-9-6-5-8-21(22)27;26-20-4-1-2-5-21(20)33-23(18-10-12-27-13-11-18)22(29-31-33)25-28-24(30-34-25)19-8-6-17(7-9-19)16-32-14-3-15-32/h2-11,14-15,21H,12-13,16-19H2,1H3;3-12,15-16,20H,2,13-14,17-19H2,1H3;2-10,12-13,15,18H,11,14,16-17H2,1H3;2-13,17H,14-16H2,1H3;5-6,8-17H,2-4,7H2,1H3;1-2,4-13H,3,14-16H2.

What are the key properties of 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole?

3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole has a molecular weight of 2904.22 g/mol, XLogP of 31.16, 41 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;1-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]propan-2-one;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-pentylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 160800265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).