1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C13H23N5O — CID 79666053

IUPAC1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCN1CCN(C)C(c2noc(CC(N)C3CC3)n2)C1
InChIInChI=1S/C13H23N5O/c1-17-5-6-18(2)11(8-17)13-15-12(19-16-13)7-10(14)9-3-4-9/h9-11H,3-8,14H2,1-2H3
InChIKeyLQGHPLNRGJUOMW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.27
Rot. Bonds4

About 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 79666053) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID79666053
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCN1CCN(C)C(c2noc(CC(N)C3CC3)n2)C1
InChIInChI=1S/C13H23N5O/c1-17-5-6-18(2)11(8-17)13-15-12(19-16-13)7-10(14)9-3-4-9/h9-11H,3-8,14H2,1-2H3
InChIKeyLQGHPLNRGJUOMW-UHFFFAOYSA-N
XLogP0.27
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 79666053) is 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CN1CCN(C)C(c2noc(CC(N)C3CC3)n2)C1.
What is the InChIKey of 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is LQGHPLNRGJUOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-5-6-18(2)11(8-17)13-15-12(19-16-13)7-10(14)9-3-4-9/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 79666053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).