3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole

C20H13FN6O — CID 59604171

IUPAC3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(C3=CCC=C3)no2)c1-c1ccncc1
InChIInChI=1S/C20H13FN6O/c21-15-7-3-4-8-16(15)27-18(13-9-11-22-12-10-13)17(24-26-27)20-23-19(25-28-20)14-5-1-2-6-14/h1,3-12H,2H2
InChIKeyQKGPLNQKOOCJSO-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.86
Rot. Bonds4

About 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole

3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (PubChem CID 59604171) has the molecular formula C20H13FN6O and a molecular weight of 372.36 g/mol. Its IUPAC name is 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
PubChem CID59604171
Molecular FormulaC20H13FN6O
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC Name3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(C3=CCC=C3)no2)c1-c1ccncc1
InChIInChI=1S/C20H13FN6O/c21-15-7-3-4-8-16(15)27-18(13-9-11-22-12-10-13)17(24-26-27)20-23-19(25-28-20)14-5-1-2-6-14/h1,3-12H,2H2
InChIKeyQKGPLNQKOOCJSO-UHFFFAOYSA-N
XLogP3.86
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (CID 59604171) is 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is Fc1ccccc1-n1nnc(-c2nc(C3=CCC=C3)no2)c1-c1ccncc1.
What is the InChIKey of 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is QKGPLNQKOOCJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O/c21-15-7-3-4-8-16(15)27-18(13-9-11-22-12-10-13)17(24-26-27)20-23-19(25-28-20)14-5-1-2-6-14/h1,3-12H,2H2.
What are the key properties of 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 372.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,4-dien-1-yl-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 59604171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).