[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine

C13H25N5O — CID 80505901

IUPAC[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(Cc2noc(C(C)(C)C)n2)C(CN)C1
InChIInChI=1S/C13H25N5O/c1-13(2,3)12-15-11(16-19-12)9-18-6-5-17(4)8-10(18)7-14/h10H,5-9,14H2,1-4H3
InChIKeyKLDWPMSDAGJNPM-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.44
Rot. Bonds3

About [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine

[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 80505901) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID80505901
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(Cc2noc(C(C)(C)C)n2)C(CN)C1
InChIInChI=1S/C13H25N5O/c1-13(2,3)12-15-11(16-19-12)9-18-6-5-17(4)8-10(18)7-14/h10H,5-9,14H2,1-4H3
InChIKeyKLDWPMSDAGJNPM-UHFFFAOYSA-N
XLogP0.44
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine (CID 80505901) is [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine is CN1CCN(Cc2noc(C(C)(C)C)n2)C(CN)C1.
What is the InChIKey of [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is KLDWPMSDAGJNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-13(2,3)12-15-11(16-19-12)9-18-6-5-17(4)8-10(18)7-14/h10H,5-9,14H2,1-4H3.
What are the key properties of [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80505901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).