2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile

C11H8FN3O — CID 79492719

IUPAC2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccon1
InChIInChI=1S/C11H8FN3O/c12-10-2-1-3-11(9(10)6-13)14-7-8-4-5-16-15-8/h1-5,14H,7H2
InChIKeyIWOJNKIZIUGZCC-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.30
Rot. Bonds3

About 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile

2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile (PubChem CID 79492719) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile
PubChem CID79492719
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccon1
InChIInChI=1S/C11H8FN3O/c12-10-2-1-3-11(9(10)6-13)14-7-8-4-5-16-15-8/h1-5,14H,7H2
InChIKeyIWOJNKIZIUGZCC-UHFFFAOYSA-N
XLogP2.30
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-(1,2-oxazol-4-ylmethylamino)benzonitrile
CID 60871325
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
2-fluoro-6-[(5-iodofuran-2-yl)methylamino]benzonitrile
CID 43778297
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
2-fluoro-6-[(5-nitrofuran-2-yl)methylamino]benzonitrile
CID 43778289
2-[[(E)-3-chloroprop-2-enyl]amino]-6-fluorobenzonitrile
CID 107899698
2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
CID 78911018
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
2-fluoro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]benzonitrile
CID 113345409
2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
CID 65316370
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile (CID 79492719) is 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile is N#Cc1c(F)cccc1NCc1ccon1.
What is the InChIKey of 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile?
The InChIKey is IWOJNKIZIUGZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-10-2-1-3-11(9(10)6-13)14-7-8-4-5-16-15-8/h1-5,14H,7H2.
What are the key properties of 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile?
2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile has a molecular weight of 217.20 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile is sourced from PubChem (CID 79492719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).