3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C13H9FN4O — CID 97058185

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H9FN4O/c14-9-5-3-8(4-6-9)12-17-13(19-18-12)10-2-1-7-16-11(10)15/h1-7H,(H2,15,16)
InChIKeyBQSFZJBKEZAHMD-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.52
Rot. Bonds2

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 97058185) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID97058185
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H9FN4O/c14-9-5-3-8(4-6-9)12-17-13(19-18-12)10-2-1-7-16-11(10)15/h1-7H,(H2,15,16)
InChIKeyBQSFZJBKEZAHMD-UHFFFAOYSA-N
XLogP2.52
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 97058185) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is BQSFZJBKEZAHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-9-5-3-8(4-6-9)12-17-13(19-18-12)10-2-1-7-16-11(10)15/h1-7H,(H2,15,16).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 256.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 97058185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).