5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C20H16FN5O2 — CID 59604193

IUPAC5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C1CCCO1
InChIInChI=1S/C20H16FN5O2/c21-14-9-4-5-10-15(14)26-18(16-11-6-12-27-16)17(23-25-26)20-22-19(24-28-20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2
InChIKeyCIOIFLFYGJQNNK-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.97
Rot. Bonds4

About 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 59604193) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID59604193
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C1CCCO1
InChIInChI=1S/C20H16FN5O2/c21-14-9-4-5-10-15(14)26-18(16-11-6-12-27-16)17(23-25-26)20-22-19(24-28-20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2
InChIKeyCIOIFLFYGJQNNK-UHFFFAOYSA-N
XLogP3.97
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(2-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 16025550
5-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 16025552
3-(2-fluorophenyl)-5-(1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole
CID 16025554
3-Cyclohexyl-5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-1,2,4-oxadiazole
CID 91889353
5-[6-(4-Fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 91889322
3-(2-Fluorophenyl)-5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-1,2,4-oxadiazole
CID 91889330
3-(3-Fluorophenyl)-5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-1,2,4-oxadiazole
CID 91889331
3-(4-Fluorophenyl)-5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-1,2,4-oxadiazole
CID 91889332
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889349
6-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91917164
5-(1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl-1,2,4-oxadiazole
CID 20937925
3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
CID 16956609

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 59604193) is 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole is Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C1CCCO1.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is CIOIFLFYGJQNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-14-9-4-5-10-15(14)26-18(16-11-6-12-27-16)17(23-25-26)20-22-19(24-28-20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2.
What are the key properties of 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 377.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 59604193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).