5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C105H70F7N33O8S — CID 161386589

IUPAC5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESCOCc1c(-c2nc(-c3ccc4[nH]ncc4c3)no2)nnn1-c1ccccc1F.CS(=O)(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cncn4)c3)no2)c1-c1ccccn1
InChIInChI=1S/C24H16FN9O.C22H15FN6O3S.C21H12F2N6O.C19H13F2N5O.C19H14FN7O2/c25-18-8-1-2-10-20(18)34-22(19-9-3-4-11-27-19)21(30-32-34)24-29-23(31-35-24)17-7-5-6-16(12-17)13-33-15-26-14-28-33;1-33(30,31)15-8-6-7-14(13-15)21-25-22(32-27-21)19-20(17-10-4-5-12-24-17)29(28-26-19)18-11-3-2-9-16(18)23;22-15-5-3-4-14(12-15)20-25-21(30-27-20)18-19(13-8-10-24-11-9-13)29(28-26-18)17-7-2-1-6-16(17)23;20-13-6-2-1-5-12(13)18-22-19(27-24-18)16-17(11-9-10-11)26(25-23-16)15-8-4-3-7-14(15)21;1-28-10-16-17(24-26-27(16)15-5-3-2-4-13(15)20)19-22-18(25-29-19)11-6-7-14-12(8-11)9-21-23-14/h1-12,14-15H,13H2;2-13H,1H3;1-12H;1-8,11H,9-10H2;2-9H,10H2,1H3,(H,21,23)
InChIKeyVSKVUVDZNGNJFQ-UHFFFAOYSA-N
MW2086.99 g/mol
LogP19.02
Rot. Bonds24

About 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 161386589) has the molecular formula C105H70F7N33O8S and a molecular weight of 2086.99 g/mol. Its IUPAC name is 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID161386589
Molecular FormulaC105H70F7N33O8S
Molecular Weight2086.99 g/mol
Exact Mass2085.57
IUPAC Name5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESCOCc1c(-c2nc(-c3ccc4[nH]ncc4c3)no2)nnn1-c1ccccc1F.CS(=O)(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cncn4)c3)no2)c1-c1ccccn1
InChIInChI=1S/C24H16FN9O.C22H15FN6O3S.C21H12F2N6O.C19H13F2N5O.C19H14FN7O2/c25-18-8-1-2-10-20(18)34-22(19-9-3-4-11-27-19)21(30-32-34)24-29-23(31-35-24)17-7-5-6-16(12-17)13-33-15-26-14-28-33;1-33(30,31)15-8-6-7-14(13-15)21-25-22(32-27-21)19-20(17-10-4-5-12-24-17)29(28-26-19)18-11-3-2-9-16(18)23;22-15-5-3-4-14(12-15)20-25-21(30-27-20)18-19(13-8-10-24-11-9-13)29(28-26-18)17-7-2-1-6-16(17)23;20-13-6-2-1-5-12(13)18-22-19(27-24-18)16-17(11-9-10-11)26(25-23-16)15-8-4-3-7-14(15)21;1-28-10-16-17(24-26-27(16)15-5-3-2-4-13(15)20)19-22-18(25-29-19)11-6-7-14-12(8-11)9-21-23-14/h1-12,14-15H,13H2;2-13H,1H3;1-12H;1-8,11H,9-10H2;2-9H,10H2,1H3,(H,21,23)
InChIKeyVSKVUVDZNGNJFQ-UHFFFAOYSA-N
XLogP19.02
TPSA489.58 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.99
LogP ≤ 519.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Analyze 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 161386589) is 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is COCc1c(-c2nc(-c3ccc4[nH]ncc4c3)no2)nnn1-c1ccccc1F.CS(=O)(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cncn4)c3)no2)c1-c1ccccn1.
What is the InChIKey of 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is VSKVUVDZNGNJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN9O.C22H15FN6O3S.C21H12F2N6O.C19H13F2N5O.C19H14FN7O2/c25-18-8-1-2-10-20(18)34-22(19-9-3-4-11-27-19)21(30-32-34)24-29-23(31-35-24)17-7-5-6-16(12-17)13-33-15-26-14-28-33;1-33(30,31)15-8-6-7-14(13-15)21-25-22(32-27-21)19-20(17-10-4-5-12-24-17)29(28-26-19)18-11-3-2-9-16(18)23;22-15-5-3-4-14(12-15)20-25-21(30-27-20)18-19(13-8-10-24-11-9-13)29(28-26-18)17-7-2-1-6-16(17)23;20-13-6-2-1-5-12(13)18-22-19(27-24-18)16-17(11-9-10-11)26(25-23-16)15-8-4-3-7-14(15)21;1-28-10-16-17(24-26-27(16)15-5-3-2-4-13(15)20)19-22-18(25-29-19)11-6-7-14-12(8-11)9-21-23-14/h1-12,14-15H,13H2;2-13H,1H3;1-12H;1-8,11H,9-10H2;2-9H,10H2,1H3,(H,21,23).
What are the key properties of 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2086.99 g/mol, XLogP of 19.02, 24 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(3-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 161386589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).