(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C12H19N5O3 — CID 62686709

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNc1nonc1C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H19N5O3/c13-11-10(14-20-15-11)12(18)17-5-3-16(4-6-17)8-9-2-1-7-19-9/h9H,1-8H2,(H2,13,15)
InChIKeyRDUGQXINZDSNCH-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.41
Rot. Bonds3

About (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 62686709) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID62686709
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNc1nonc1C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H19N5O3/c13-11-10(14-20-15-11)12(18)17-5-3-16(4-6-17)8-9-2-1-7-19-9/h9H,1-8H2,(H2,13,15)
InChIKeyRDUGQXINZDSNCH-UHFFFAOYSA-N
XLogP-0.41
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 61115634
[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 78968015
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
(3-methyl-1,2-oxazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94021683
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
(2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 121333740
(5-bromothiophen-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60739680

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 62686709) is (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is Nc1nonc1C(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is RDUGQXINZDSNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-11-10(14-20-15-11)12(18)17-5-3-16(4-6-17)8-9-2-1-7-19-9/h9H,1-8H2,(H2,13,15).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 281.32 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62686709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).