Azd6538

C15H6FN5O — CID 9879103

IUPAC6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
SMILESC1=CC(=NC=C1C#N)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F
InChIInChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
InChIKeyPBVKGEMPZBKZOA-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.00
Rot. Bonds2

About Azd6538

Azd6538 (PubChem CID 9879103) has the molecular formula C15H6FN5O and a molecular weight of 291.24 g/mol. Its IUPAC name is 6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound NameAzd6538
PubChem CID9879103
Molecular FormulaC15H6FN5O
Molecular Weight291.24 g/mol
Exact Mass291.06
IUPAC Name6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
SMILESC1=CC(=NC=C1C#N)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F
InChIInChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
InChIKeyPBVKGEMPZBKZOA-UHFFFAOYSA-N
XLogP2.00
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity497

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Azd-9272
CID 9838729
2-[5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 650707
VU0285683
CID 9816778
5-(4-Chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 2820879
3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10198810
NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
5-(3-Nitrophenyl)-3-(2-pyridyl)-1,2,4-oxadiazole
CID 867096
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
5-Naphthalen-1-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 757874
2-[5-(2-Chlorophenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763879

Frequently Asked Questions

What is the IUPAC name of Azd6538?
The IUPAC name of Azd6538 (CID 9879103) is 6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for Azd6538?
The canonical SMILES for Azd6538 is C1=CC(=NC=C1C#N)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F.
What is the InChIKey of Azd6538?
The InChIKey is PBVKGEMPZBKZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H.
What are the key properties of Azd6538?
Azd6538 has a molecular weight of 291.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Azd6538 is sourced from PubChem (CID 9879103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).