(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone

C11H19N5O2 — CID 55104004

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)16-6-4-15(5-7-16)10(17)8-9(12)14-18-13-8/h4-7H2,1-3H3,(H2,12,14)
InChIKeyKJKMILFZHAZWAE-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.21
Rot. Bonds1

About (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone

(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 55104004) 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-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID55104004
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)16-6-4-15(5-7-16)10(17)8-9(12)14-18-13-8/h4-7H2,1-3H3,(H2,12,14)
InChIKeyKJKMILFZHAZWAE-UHFFFAOYSA-N
XLogP0.21
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
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-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone (CID 55104004) is (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone is CC(C)(C)N1CCN(C(=O)c2nonc2N)CC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is KJKMILFZHAZWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2,3)16-6-4-15(5-7-16)10(17)8-9(12)14-18-13-8/h4-7H2,1-3H3,(H2,12,14).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 253.31 g/mol, XLogP of 0.21, 1 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-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 55104004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).