5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C102H77F9N26O9S — CID 158694861

About 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 158694861) has the molecular formula C102H77F9N26O9S and a molecular weight of 2013.96 g/mol. Its IUPAC name is 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
• PubChem CID: 158694861
• Molecular Formula: C102H77F9N26O9S
• Molecular Weight: 2013.96 g/mol
• Exact Mass: 2012.59
• IUPAC Name: 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
• SMILES: C=S(C)(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3COC)n2)c1.COc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CC3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCCO3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C1CCCC1
• InChI: InChI=1S/C22H15FN6O2.C21H18FN5O.C20H14F3N5O2.C20H18FN5O3S.C19H12F3N5O/c1-30-15-8-6-7-14(13-15)21-25-22(31-27-21)19-20(17-10-4-5-12-24-17)29(28-26-19)18-11-3-2-9-16(18)23;22-16-12-6-7-13-17(16)27-19(14-8-4-5-9-14)18(24-26-27)21-23-20(25-28-21)15-10-2-1-3-11-15;21-11-7-8-13(22)12(10-11)19-24-20(30-26-19)17-18(16-6-3-9-29-16)28(27-25-17)15-5-2-1-4-14(15)23;1-28-12-17-18(23-25-26(17)16-10-5-4-9-15(16)21)20-22-19(24-29-20)13-7-6-8-14(11-13)30(2,3)27;20-11-7-8-13(21)12(9-11)18-23-19(28-25-18)16-17(10-5-6-10)27(26-24-16)15-4-2-1-3-14(15)22/h2-13H,1H3;1-3,6-7,10-14H,4-5,8-9H2;1-2,4-5,7-8,10,16H,3,6,9H2;4-11H,2,12H2,1,3H3;1-4,7-10H,5-6H2
• InChIKey: IGURZJBWOCEKDR-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 405.80 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.96
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 158694861) is 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is C=S(C)(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3COC)n2)c1.COc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CC3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCCO3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C1CCCC1.

What is the InChIKey of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?

The InChIKey is IGURZJBWOCEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O2.C21H18FN5O.C20H14F3N5O2.C20H18FN5O3S.C19H12F3N5O/c1-30-15-8-6-7-14(13-15)21-25-22(31-27-21)19-20(17-10-4-5-12-24-17)29(28-26-19)18-11-3-2-9-16(18)23;22-16-12-6-7-13-17(16)27-19(14-8-4-5-9-14)18(24-26-27)21-23-20(25-28-21)15-10-2-1-3-11-15;21-11-7-8-13(22)12(10-11)19-24-20(30-26-19)17-18(16-6-3-9-29-16)28(27-25-17)15-5-2-1-4-14(15)23;1-28-12-17-18(23-25-26(17)16-10-5-4-9-15(16)21)20-22-19(24-29-20)13-7-6-8-14(11-13)30(2,3)27;20-11-7-8-13(21)12(9-11)18-23-19(28-25-18)16-17(10-5-6-10)27(26-24-16)15-4-2-1-3-14(15)22/h2-13H,1H3;1-3,6-7,10-14H,4-5,8-9H2;1-2,4-5,7-8,10,16H,3,6,9H2;4-11H,2,12H2,1,3H3;1-4,7-10H,5-6H2.

What are the key properties of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?

5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 2013.96 g/mol, XLogP of 20.48, 23 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-methyl-methylidene-oxo-λ6-sulfane;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158694861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).