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

C11H9FN4O — CID 113253697

IUPAC2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
SMILESCc1nc(CNc2ccc(F)c(C#N)c2)no1
InChIInChI=1S/C11H9FN4O/c1-7-15-11(16-17-7)6-14-9-2-3-10(12)8(4-9)5-13/h2-4,14H,6H2,1H3
InChIKeyMUQXRKZJCYHBGS-UHFFFAOYSA-N
MW232.22 g/mol
LogP2.00
Rot. Bonds3

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

2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile (PubChem CID 113253697) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
PubChem CID113253697
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
SMILESCc1nc(CNc2ccc(F)c(C#N)c2)no1
InChIInChI=1S/C11H9FN4O/c1-7-15-11(16-17-7)6-14-9-2-3-10(12)8(4-9)5-13/h2-4,14H,6H2,1H3
InChIKeyMUQXRKZJCYHBGS-UHFFFAOYSA-N
XLogP2.00
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 114183772
3,5-difluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 103703159
2-amino-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114185740
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetonitrile
CID 107911565
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
CID 55057726
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103742013
5-[(3,4-dimethylphenyl)methylamino]-2-fluorobenzonitrile
CID 55057627
2,2-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzodioxol-5-amine
CID 103741999
2-fluoro-5-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzonitrile
CID 107936086

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile (CID 113253697) is 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile is Cc1nc(CNc2ccc(F)c(C#N)c2)no1.
What is the InChIKey of 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile?
The InChIKey is MUQXRKZJCYHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c1-7-15-11(16-17-7)6-14-9-2-3-10(12)8(4-9)5-13/h2-4,14H,6H2,1H3.
What are the key properties of 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile?
2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile has a molecular weight of 232.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile is sourced from PubChem (CID 113253697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).