1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C18H26FN5O — CID 84598319

IUPAC1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2nc(C)no2)CC1
InChIInChI=1S/C18H26FN5O/c1-4-23-7-9-24(10-8-23)17-6-5-15(19)11-16(17)13(2)20-12-18-21-14(3)22-25-18/h5-6,11,13,20H,4,7-10,12H2,1-3H3
InChIKeyKXOQNGWKWWUVEJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.51
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 84598319) has the molecular formula C18H26FN5O and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID84598319
Molecular FormulaC18H26FN5O
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2nc(C)no2)CC1
InChIInChI=1S/C18H26FN5O/c1-4-23-7-9-24(10-8-23)17-6-5-15(19)11-16(17)13(2)20-12-18-21-14(3)22-25-18/h5-6,11,13,20H,4,7-10,12H2,1-3H3
InChIKeyKXOQNGWKWWUVEJ-UHFFFAOYSA-N
XLogP2.51
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 84598319) is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCN1CCN(c2ccc(F)cc2C(C)NCc2nc(C)no2)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is KXOQNGWKWWUVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O/c1-4-23-7-9-24(10-8-23)17-6-5-15(19)11-16(17)13(2)20-12-18-21-14(3)22-25-18/h5-6,11,13,20H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 347.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 84598319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).