2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile

C16H10FN3O2 — CID 51202751

IUPAC2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile
SMILESCc1nc(-c2ccc(Oc3cccc(F)c3C#N)cc2)no1
InChIInChI=1S/C16H10FN3O2/c1-10-19-16(20-22-10)11-5-7-12(8-6-11)21-15-4-2-3-14(17)13(15)9-18/h2-8H,1H3
InChIKeyWRUHXWTYPSUCMI-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.85
Rot. Bonds3

About 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile

2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile (PubChem CID 51202751) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile
PubChem CID51202751
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile
SMILESCc1nc(-c2ccc(Oc3cccc(F)c3C#N)cc2)no1
InChIInChI=1S/C16H10FN3O2/c1-10-19-16(20-22-10)11-5-7-12(8-6-11)21-15-4-2-3-14(17)13(15)9-18/h2-8H,1H3
InChIKeyWRUHXWTYPSUCMI-UHFFFAOYSA-N
XLogP3.85
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
2-[4-(4-methoxyphenyl)phenoxy]-6-methylbenzonitrile
CID 59383233
2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 43609103
2-[4-[4-[2-cyano-3-(4-methoxyphenoxy)phenoxy]phenyl]phenoxy]-6-methylbenzonitrile
CID 170296414
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-fluoro-6-quinolin-7-yloxybenzonitrile
CID 107313648

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile (CID 51202751) is 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile is Cc1nc(-c2ccc(Oc3cccc(F)c3C#N)cc2)no1.
What is the InChIKey of 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile?
The InChIKey is WRUHXWTYPSUCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c1-10-19-16(20-22-10)11-5-7-12(8-6-11)21-15-4-2-3-14(17)13(15)9-18/h2-8H,1H3.
What are the key properties of 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile?
2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile has a molecular weight of 295.27 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile is sourced from PubChem (CID 51202751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).