2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile

C11H9FN4O — CID 114183799

IUPAC2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
SMILESN#Cc1ccc(NCCc2ncon2)cc1F
InChIInChI=1S/C11H9FN4O/c12-10-5-9(2-1-8(10)6-13)14-4-3-11-15-7-17-16-11/h1-2,5,7,14H,3-4H2
InChIKeyNKQFTNUAPZJLGM-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.73
Rot. Bonds4

About 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile

2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile (PubChem CID 114183799) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
PubChem CID114183799
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
SMILESN#Cc1ccc(NCCc2ncon2)cc1F
InChIInChI=1S/C11H9FN4O/c12-10-5-9(2-1-8(10)6-13)14-4-3-11-15-7-17-16-11/h1-2,5,7,14H,3-4H2
InChIKeyNKQFTNUAPZJLGM-UHFFFAOYSA-N
XLogP1.73
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106398946
4-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114183794
4-methyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106394127
2-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 115367543
2-fluoro-4-(propylamino)benzonitrile
CID 115366947
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
CID 114183778
4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile
CID 115367084
2-methyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114184042
2-fluoro-4-(3-hydroxybutylamino)benzonitrile
CID 115367592
3-fluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394045
2-(4-cyano-3-fluoroanilino)acetic acid
CID 127019892

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile?
The IUPAC name of 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile (CID 114183799) is 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile is N#Cc1ccc(NCCc2ncon2)cc1F.
What is the InChIKey of 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile?
The InChIKey is NKQFTNUAPZJLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-10-5-9(2-1-8(10)6-13)14-4-3-11-15-7-17-16-11/h1-2,5,7,14H,3-4H2.
What are the key properties of 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile?
2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile has a molecular weight of 232.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile is sourced from PubChem (CID 114183799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).