4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

C15H9FN4O — CID 106524634

IUPAC4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCc1ccc(F)cc1-c1noc(-c2ccnc(C#N)c2)n1
InChIInChI=1S/C15H9FN4O/c1-9-2-3-11(16)7-13(9)14-19-15(21-20-14)10-4-5-18-12(6-10)8-17/h2-7H,1H3
InChIKeyILDIEDDVWRNMEA-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.12
Rot. Bonds2

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

4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 106524634) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID106524634
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCc1ccc(F)cc1-c1noc(-c2ccnc(C#N)c2)n1
InChIInChI=1S/C15H9FN4O/c1-9-2-3-11(16)7-13(9)14-19-15(21-20-14)10-4-5-18-12(6-10)8-17/h2-7H,1H3
InChIKeyILDIEDDVWRNMEA-UHFFFAOYSA-N
XLogP3.12
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526813
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845762
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106523839
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63616700
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526177
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 62387567
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526282
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62387398
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
4-fluoro-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388062

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 106524634) is 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is Cc1ccc(F)cc1-c1noc(-c2ccnc(C#N)c2)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is ILDIEDDVWRNMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c1-9-2-3-11(16)7-13(9)14-19-15(21-20-14)10-4-5-18-12(6-10)8-17/h2-7H,1H3.
What are the key properties of 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 280.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 106524634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).