5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C107H84F6N32O6 — CID 162115633

IUPAC5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCOCc1c(-c2nc(-c3ccc(CN)cc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CCCC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1C1CCCC1.NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C25H17FN8O.C22H16FN7O.C21H17F2N5O.C20H17FN6O.C19H17FN6O2/c26-20-6-1-2-7-21(20)34-23(18-8-10-27-11-9-18)22(30-32-34)25-29-24(31-35-25)19-5-3-4-17(14-19)15-33-13-12-28-16-33;23-17-3-1-2-4-18(17)30-20(15-9-11-25-12-10-15)19(27-29-30)22-26-21(28-31-22)16-7-5-14(13-24)6-8-16;22-15-10-4-3-9-14(15)20-24-21(29-26-20)18-19(13-7-1-2-8-13)28(27-25-18)17-12-6-5-11-16(17)23;21-15-9-3-4-10-16(15)27-18(13-6-1-2-7-13)17(24-26-27)20-23-19(25-28-20)14-8-5-11-22-12-14;1-27-11-16-17(23-25-26(16)15-5-3-2-4-14(15)20)19-22-18(24-28-19)13-8-6-12(10-21)7-9-13/h1-14,16H,15H2;1-12H,13,24H2;3-6,9-13H,1-2,7-8H2;3-5,8-13H,1-2,6-7H2;2-9H,10-11,21H2,1H3
InChIKeyZGSLIXFIKUGTDF-UHFFFAOYSA-N
MW2028.05 g/mol
LogP19.90
Rot. Bonds25

About 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine

5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 162115633) has the molecular formula C107H84F6N32O6 and a molecular weight of 2028.05 g/mol. Its IUPAC name is 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID162115633
Molecular FormulaC107H84F6N32O6
Molecular Weight2028.05 g/mol
Exact Mass2026.72
IUPAC Name5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCOCc1c(-c2nc(-c3ccc(CN)cc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CCCC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1C1CCCC1.NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C25H17FN8O.C22H16FN7O.C21H17F2N5O.C20H17FN6O.C19H17FN6O2/c26-20-6-1-2-7-21(20)34-23(18-8-10-27-11-9-18)22(30-32-34)25-29-24(31-35-25)19-5-3-4-17(14-19)15-33-13-12-28-16-33;23-17-3-1-2-4-18(17)30-20(15-9-11-25-12-10-15)19(27-29-30)22-26-21(28-31-22)16-7-5-14(13-24)6-8-16;22-15-10-4-3-9-14(15)20-24-21(29-26-20)18-19(13-7-1-2-8-13)28(27-25-18)17-12-6-5-11-16(17)23;21-15-9-3-4-10-16(15)27-18(13-6-1-2-7-13)17(24-26-27)20-23-19(25-28-20)14-8-5-11-22-12-14;1-27-11-16-17(23-25-26(16)15-5-3-2-4-14(15)20)19-22-18(24-28-19)13-8-6-12(10-21)7-9-13/h1-14,16H,15H2;1-12H,13,24H2;3-6,9-13H,1-2,7-8H2;3-5,8-13H,1-2,6-7H2;2-9H,10-11,21H2,1H3
InChIKeyZGSLIXFIKUGTDF-UHFFFAOYSA-N
XLogP19.90
TPSA465.91 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.05
LogP ≤ 519.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 162115633) is 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine is COCc1c(-c2nc(-c3ccc(CN)cc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CCCC2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1C1CCCC1.NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.
What is the InChIKey of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is ZGSLIXFIKUGTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN8O.C22H16FN7O.C21H17F2N5O.C20H17FN6O.C19H17FN6O2/c26-20-6-1-2-7-21(20)34-23(18-8-10-27-11-9-18)22(30-32-34)25-29-24(31-35-25)19-5-3-4-17(14-19)15-33-13-12-28-16-33;23-17-3-1-2-4-18(17)30-20(15-9-11-25-12-10-15)19(27-29-30)22-26-21(28-31-22)16-7-5-14(13-24)6-8-16;22-15-10-4-3-9-14(15)20-24-21(29-26-20)18-19(13-7-1-2-8-13)28(27-25-18)17-12-6-5-11-16(17)23;21-15-9-3-4-10-16(15)27-18(13-6-1-2-7-13)17(24-26-27)20-23-19(25-28-20)14-8-5-11-22-12-14;1-27-11-16-17(23-25-26(16)15-5-3-2-4-14(15)20)19-22-18(24-28-19)13-8-6-12(10-21)7-9-13/h1-14,16H,15H2;1-12H,13,24H2;3-6,9-13H,1-2,7-8H2;3-5,8-13H,1-2,6-7H2;2-9H,10-11,21H2,1H3.
What are the key properties of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 2028.05 g/mol, XLogP of 19.90, 25 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 162115633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).