4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

C15H9FN4O — CID 106523839

IUPAC4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccn1
InChIInChI=1S/C15H9FN4O/c16-12-3-1-10(2-4-12)7-14-19-15(21-20-14)11-5-6-18-13(8-11)9-17/h1-6,8H,7H2
InChIKeyZOQUNFCLMYWUGF-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.73
Rot. Bonds3

About 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 106523839) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID106523839
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccn1
InChIInChI=1S/C15H9FN4O/c16-12-3-1-10(2-4-12)7-14-19-15(21-20-14)11-5-6-18-13(8-11)9-17/h1-6,8H,7H2
InChIKeyZOQUNFCLMYWUGF-UHFFFAOYSA-N
XLogP2.73
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 106523839) is 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is N#Cc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccn1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is ZOQUNFCLMYWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-12-3-1-10(2-4-12)7-14-19-15(21-20-14)11-5-6-18-13(8-11)9-17/h1-6,8H,7H2.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 280.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 106523839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).