2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile

C11H8FN3O2 — CID 78952632

IUPAC2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
SMILESCc1noc(COc2ccc(C#N)c(F)c2)n1
InChIInChI=1S/C11H8FN3O2/c1-7-14-11(17-15-7)6-16-9-3-2-8(5-13)10(12)4-9/h2-4H,6H2,1H3
InChIKeyACDJYGCIIODUGK-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.97
Rot. Bonds3

About 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile

2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile (PubChem CID 78952632) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
PubChem CID78952632
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
SMILESCc1noc(COc2ccc(C#N)c(F)c2)n1
InChIInChI=1S/C11H8FN3O2/c1-7-14-11(17-15-7)6-16-9-3-2-8(5-13)10(12)4-9/h2-4H,6H2,1H3
InChIKeyACDJYGCIIODUGK-UHFFFAOYSA-N
XLogP1.97
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzonitrile
CID 78952741
3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 51331111
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile
CID 78952690
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
3-[[5-fluoro-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]pyrimidin-2-yl]amino]benzonitrile
CID 66939183
2-fluoro-4-(4-methoxybutoxy)benzonitrile
CID 115777010
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586565
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82916377
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile (CID 78952632) is 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile is Cc1noc(COc2ccc(C#N)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The InChIKey is ACDJYGCIIODUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c1-7-14-11(17-15-7)6-16-9-3-2-8(5-13)10(12)4-9/h2-4H,6H2,1H3.
What are the key properties of 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile has a molecular weight of 233.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile is sourced from PubChem (CID 78952632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).