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

C19H11FN8O — CID 59604110

IUPAC5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3cnccn3)no2)c1-c1ccncc1
InChIInChI=1S/C19H11FN8O/c20-13-3-1-2-4-15(13)28-17(12-5-7-21-8-6-12)16(25-27-28)19-24-18(26-29-19)14-11-22-9-10-23-14/h1-11H
InChIKeyITLMVSHQLCEIBN-UHFFFAOYSA-N
MW386.35 g/mol
LogP2.98
Rot. Bonds4

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

5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 59604110) has the molecular formula C19H11FN8O and a molecular weight of 386.35 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID59604110
Molecular FormulaC19H11FN8O
Molecular Weight386.35 g/mol
Exact Mass386.10
IUPAC Name5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3cnccn3)no2)c1-c1ccncc1
InChIInChI=1S/C19H11FN8O/c20-13-3-1-2-4-15(13)28-17(12-5-7-21-8-6-12)16(25-27-28)19-24-18(26-29-19)14-11-22-9-10-23-14/h1-11H
InChIKeyITLMVSHQLCEIBN-UHFFFAOYSA-N
XLogP2.98
TPSA108.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 59604110) is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is Fc1ccccc1-n1nnc(-c2nc(-c3cnccn3)no2)c1-c1ccncc1.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is ITLMVSHQLCEIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN8O/c20-13-3-1-2-4-15(13)28-17(12-5-7-21-8-6-12)16(25-27-28)19-24-18(26-29-19)14-11-22-9-10-23-14/h1-11H.
What are the key properties of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 386.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 59604110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).