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

C108H75F6N31O8S — CID 158016822

IUPAC5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESCOCc1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)nnn1-c1ccccc1F.CS(=O)(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cccn4)c3)no2)c1-c1ccccn1
InChIInChI=1S/C25H17FN8O.C22H15FN6O3S.C22H15FN6O.C20H15FN6O2.C19H13F2N5O/c26-19-9-1-2-11-21(19)34-23(20-10-3-4-12-27-20)22(30-32-34)25-29-24(31-35-25)18-8-5-7-17(15-18)16-33-14-6-13-28-33;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;1-14-5-4-6-16(13-14)21-25-22(30-27-21)19-20(15-9-11-24-12-10-15)29(28-26-19)18-8-3-2-7-17(18)23;1-28-11-17-18(24-26-27(17)16-5-3-2-4-14(16)21)20-23-19(25-29-20)13-6-7-15-12(10-13)8-9-22-15;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/h1-15H,16H2;2-13H,1H3;2-13H,1H3;2-10,22H,11H2,1H3;1-8,11H,9-10H2
InChIKeyFFOOZKMLCFMMIS-UHFFFAOYSA-N
MW2081.05 g/mol
LogP20.40
Rot. Bonds24

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

5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 158016822) has the molecular formula C108H75F6N31O8S and a molecular weight of 2081.05 g/mol. Its IUPAC name is 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-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;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID158016822
Molecular FormulaC108H75F6N31O8S
Molecular Weight2081.05 g/mol
Exact Mass2079.60
IUPAC Name5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESCOCc1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)nnn1-c1ccccc1F.CS(=O)(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cccn4)c3)no2)c1-c1ccccn1
InChIInChI=1S/C25H17FN8O.C22H15FN6O3S.C22H15FN6O.C20H15FN6O2.C19H13F2N5O/c26-19-9-1-2-11-21(19)34-23(20-10-3-4-12-27-20)22(30-32-34)25-29-24(31-35-25)18-8-5-7-17(15-18)16-33-14-6-13-28-33;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;1-14-5-4-6-16(13-14)21-25-22(30-27-21)19-20(15-9-11-24-12-10-15)29(28-26-19)18-8-3-2-7-17(18)23;1-28-11-17-18(24-26-27(17)16-5-3-2-4-14(16)21)20-23-19(25-29-20)13-6-7-15-12(10-13)8-9-22-15;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/h1-15H,16H2;2-13H,1H3;2-13H,1H3;2-10,22H,11H2,1H3;1-8,11H,9-10H2
InChIKeyFFOOZKMLCFMMIS-UHFFFAOYSA-N
XLogP20.40
TPSA463.80 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.05
LogP ≤ 520.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

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

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Related Compounds

3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 161189656
3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 161297288
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
3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 162079501

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;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-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;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 158016822) is 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-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;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-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;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is COCc1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)nnn1-c1ccccc1F.CS(=O)(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cccn4)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;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is FFOOZKMLCFMMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN8O.C22H15FN6O3S.C22H15FN6O.C20H15FN6O2.C19H13F2N5O/c26-19-9-1-2-11-21(19)34-23(20-10-3-4-12-27-20)22(30-32-34)25-29-24(31-35-25)18-8-5-7-17(15-18)16-33-14-6-13-28-33;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;1-14-5-4-6-16(13-14)21-25-22(30-27-21)19-20(15-9-11-24-12-10-15)29(28-26-19)18-8-3-2-7-17(18)23;1-28-11-17-18(24-26-27(17)16-5-3-2-4-14(16)21)20-23-19(25-29-20)13-6-7-15-12(10-13)8-9-22-15;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/h1-15H,16H2;2-13H,1H3;2-13H,1H3;2-10,22H,11H2,1H3;1-8,11H,9-10H2.
What are the key properties of 5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2081.05 g/mol, XLogP of 20.40, 24 rotatable bonds, 1 hydrogen bond donors, and 38 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;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-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-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158016822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).