1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine

C12H23N5O — CID 79658870

IUPAC1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
SMILESCN1CCN(C)C(c2noc(CC(C)(C)N)n2)C1
InChIInChI=1S/C12H23N5O/c1-12(2,13)7-10-14-11(15-18-10)9-8-16(3)5-6-17(9)4/h9H,5-8,13H2,1-4H3
InChIKeyPLJMTLZHTZRIRA-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.27
Rot. Bonds3

About 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine

1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine (PubChem CID 79658870) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
PubChem CID79658870
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
SMILESCN1CCN(C)C(c2noc(CC(C)(C)N)n2)C1
InChIInChI=1S/C12H23N5O/c1-12(2,13)7-10-14-11(15-18-10)9-8-16(3)5-6-17(9)4/h9H,5-8,13H2,1-4H3
InChIKeyPLJMTLZHTZRIRA-UHFFFAOYSA-N
XLogP0.27
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
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-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine (CID 79658870) is 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine is CN1CCN(C)C(c2noc(CC(C)(C)N)n2)C1.
What is the InChIKey of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The InChIKey is PLJMTLZHTZRIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-12(2,13)7-10-14-11(15-18-10)9-8-16(3)5-6-17(9)4/h9H,5-8,13H2,1-4H3.
What are the key properties of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 79658870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).