(4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone

C11H19N5O2 — CID 55116536

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C11H19N5O2/c1-3-8(2)15-4-6-16(7-5-15)11(17)9-10(12)14-18-13-9/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyARECRNKARJRFIS-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.21
Rot. Bonds3

About (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone

(4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone (PubChem CID 55116536) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
PubChem CID55116536
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C11H19N5O2/c1-3-8(2)15-4-6-16(7-5-15)11(17)9-10(12)14-18-13-9/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyARECRNKARJRFIS-UHFFFAOYSA-N
XLogP0.21
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone (CID 55116536) is (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone is CCC(C)N1CCN(C(=O)c2nonc2N)CC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ARECRNKARJRFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-8(2)15-4-6-16(7-5-15)11(17)9-10(12)14-18-13-9/h8H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone has a molecular weight of 253.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 55116536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).