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

C20H18FN7O — CID 59604217

IUPAC5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(C3CCNCC3)no2)c1-c1ccncc1
InChIInChI=1S/C20H18FN7O/c21-15-3-1-2-4-16(15)28-18(13-5-9-22-10-6-13)17(25-27-28)20-24-19(26-29-20)14-7-11-23-12-8-14/h1-6,9-10,14,23H,7-8,11-12H2
InChIKeyRFYLSYNLJGEHEC-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.99
Rot. Bonds4

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

5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 59604217) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID59604217
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC Name5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(C3CCNCC3)no2)c1-c1ccncc1
InChIInChI=1S/C20H18FN7O/c21-15-3-1-2-4-16(15)28-18(13-5-9-22-10-6-13)17(25-27-28)20-24-19(26-29-20)14-7-11-23-12-8-14/h1-6,9-10,14,23H,7-8,11-12H2
InChIKeyRFYLSYNLJGEHEC-UHFFFAOYSA-N
XLogP2.99
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole (CID 59604217) is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole is Fc1ccccc1-n1nnc(-c2nc(C3CCNCC3)no2)c1-c1ccncc1.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is RFYLSYNLJGEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c21-15-3-1-2-4-16(15)28-18(13-5-9-22-10-6-13)17(25-27-28)20-24-19(26-29-20)14-7-11-23-12-8-14/h1-6,9-10,14,23H,7-8,11-12H2.
What are the key properties of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 391.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 59604217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).