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

C19H27FN4O — CID 75471695

IUPAC1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2cc(C)on2)CC1
InChIInChI=1S/C19H27FN4O/c1-4-23-7-9-24(10-8-23)19-6-5-16(20)12-18(19)15(3)21-13-17-11-14(2)25-22-17/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3
InChIKeyXSUKYXWVOXNGRG-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.11
Rot. Bonds6

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

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine (PubChem CID 75471695) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
PubChem CID75471695
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2cc(C)on2)CC1
InChIInChI=1S/C19H27FN4O/c1-4-23-7-9-24(10-8-23)19-6-5-16(20)12-18(19)15(3)21-13-17-11-14(2)25-22-17/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3
InChIKeyXSUKYXWVOXNGRG-UHFFFAOYSA-N
XLogP3.11
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine (CID 75471695) is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine is CCN1CCN(c2ccc(F)cc2C(C)NCc2cc(C)on2)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The InChIKey is XSUKYXWVOXNGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-4-23-7-9-24(10-8-23)19-6-5-16(20)12-18(19)15(3)21-13-17-11-14(2)25-22-17/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine has a molecular weight of 346.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 75471695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).