2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine

C14H14FN5O — CID 107496193

IUPAC2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
SMILESCc1ccc(F)cc1-c1noc(-c2cn(CCN)cn2)n1
InChIInChI=1S/C14H14FN5O/c1-9-2-3-10(15)6-11(9)13-18-14(21-19-13)12-7-20(5-4-16)8-17-12/h2-3,6-8H,4-5,16H2,1H3
InChIKeyKHXAYICPWKTWAR-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine

2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine (PubChem CID 107496193) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
PubChem CID107496193
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
SMILESCc1ccc(F)cc1-c1noc(-c2cn(CCN)cn2)n1
InChIInChI=1S/C14H14FN5O/c1-9-2-3-10(15)6-11(9)13-18-14(21-19-13)12-7-20(5-4-16)8-17-12/h2-3,6-8H,4-5,16H2,1H3
InChIKeyKHXAYICPWKTWAR-UHFFFAOYSA-N
XLogP2.01
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
4-[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888881
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495782
2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496057
2-[4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496465
4-fluoro-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388062
1-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373664
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710
2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496065

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine (CID 107496193) is 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine is Cc1ccc(F)cc1-c1noc(-c2cn(CCN)cn2)n1.
What is the InChIKey of 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
The InChIKey is KHXAYICPWKTWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-9-2-3-10(15)6-11(9)13-18-14(21-19-13)12-7-20(5-4-16)8-17-12/h2-3,6-8H,4-5,16H2,1H3.
What are the key properties of 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine?
2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine has a molecular weight of 287.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107496193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).