5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C102H76F7N25O6 — CID 158083516

IUPAC5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCCCCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.CCCCc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccc1
InChIInChI=1S/C22H13F2N5O.C22H14FN5O.C20H17F2N5O.C20H18FN5O.C18H14FN5O2/c23-16-11-5-4-10-15(16)21-25-22(30-27-21)19-20(14-8-2-1-3-9-14)29(28-26-19)18-13-7-6-12-17(18)24;23-17-13-7-8-14-18(17)28-20(15-9-3-1-4-10-15)19(25-27-28)22-24-21(26-29-22)16-11-5-2-6-12-16;1-2-3-11-17-18(24-26-27(17)16-12-7-6-10-15(16)22)20-23-19(25-28-20)13-8-4-5-9-14(13)21;1-2-3-12-17-18(23-25-26(17)16-13-8-7-11-15(16)21)20-22-19(24-27-20)14-9-5-4-6-10-14;1-25-11-15-16(21-23-24(15)14-10-6-5-9-13(14)19)18-20-17(22-26-18)12-7-3-2-4-8-12/h1-13H;1-14H;4-10,12H,2-3,11H2,1H3;4-11,13H,2-3,12H2,1H3;2-10H,11H2,1H3
InChIKeyFNFSRCDXVIPUAB-UHFFFAOYSA-N
MW1880.88 g/mol
LogP22.06
Rot. Bonds25

About 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 158083516) has the molecular formula C102H76F7N25O6 and a molecular weight of 1880.88 g/mol. Its IUPAC name is 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID158083516
Molecular FormulaC102H76F7N25O6
Molecular Weight1880.88 g/mol
Exact Mass1879.63
IUPAC Name5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCCCCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.CCCCc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccc1
InChIInChI=1S/C22H13F2N5O.C22H14FN5O.C20H17F2N5O.C20H18FN5O.C18H14FN5O2/c23-16-11-5-4-10-15(16)21-25-22(30-27-21)19-20(14-8-2-1-3-9-14)29(28-26-19)18-13-7-6-12-17(18)24;23-17-13-7-8-14-18(17)28-20(15-9-3-1-4-10-15)19(25-27-28)22-24-21(26-29-22)16-11-5-2-6-12-16;1-2-3-11-17-18(24-26-27(17)16-12-7-6-10-15(16)22)20-23-19(25-28-20)13-8-4-5-9-14(13)21;1-2-3-12-17-18(23-25-26(17)16-13-8-7-11-15(16)21)20-22-19(24-27-20)14-9-5-4-6-10-14;1-25-11-15-16(21-23-24(15)14-10-6-5-9-13(14)19)18-20-17(22-26-18)12-7-3-2-4-8-12/h1-13H;1-14H;4-10,12H,2-3,11H2,1H3;4-11,13H,2-3,12H2,1H3;2-10H,11H2,1H3
InChIKeyFNFSRCDXVIPUAB-UHFFFAOYSA-N
XLogP22.06
TPSA357.38 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.88
LogP ≤ 522.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(tetrahydrofuran-2-yl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
CID 44128674
3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(tetrahydrofuran-2-yl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
CID 44128917
3-(2,4-Difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-yl]-1,2,4-oxadiazole
CID 44129381
3-(2-Fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-yl]-1,2,4-oxadiazole
CID 44129382
3-(2,5-Difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-yl]-1,2,4-oxadiazole
CID 44129383
5-[1-(2-Fluorophenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 44129461
3-(4-Ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole
CID 59604180
5-[1-(2-Fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 59604193
3-(2,4-Difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
CID 135245913
3-(3-Ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole
CID 143823946
4-[5-[1-(2-Fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzoic acid;methyl 4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 157882852
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;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-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-[3-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 158003857

Frequently Asked Questions

What is the IUPAC name of 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 158083516) is 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is CCCCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.CCCCc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccc1.
What is the InChIKey of 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FNFSRCDXVIPUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2N5O.C22H14FN5O.C20H17F2N5O.C20H18FN5O.C18H14FN5O2/c23-16-11-5-4-10-15(16)21-25-22(30-27-21)19-20(14-8-2-1-3-9-14)29(28-26-19)18-13-7-6-12-17(18)24;23-17-13-7-8-14-18(17)28-20(15-9-3-1-4-10-15)19(25-27-28)22-24-21(26-29-22)16-11-5-2-6-12-16;1-2-3-11-17-18(24-26-27(17)16-12-7-6-10-15(16)22)20-23-19(25-28-20)13-8-4-5-9-14(13)21;1-2-3-12-17-18(23-25-26(17)16-13-8-7-11-15(16)21)20-22-19(24-27-20)14-9-5-4-6-10-14;1-25-11-15-16(21-23-24(15)14-10-6-5-9-13(14)19)18-20-17(22-26-18)12-7-3-2-4-8-12/h1-13H;1-14H;4-10,12H,2-3,11H2,1H3;4-11,13H,2-3,12H2,1H3;2-10H,11H2,1H3.
What are the key properties of 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 1880.88 g/mol, XLogP of 22.06, 25 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 158083516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).