2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol

C9H18N6O3 — CID 143840026

IUPAC2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol
SMILESNC1=NONC1/C(=N/O)N1CCN(CCO)CC1
InChIInChI=1S/C9H18N6O3/c10-8-7(12-18-13-8)9(11-17)15-3-1-14(2-4-15)5-6-16/h7,12,16-17H,1-6H2,(H2,10,13)/b11-9-
InChIKeyKJQYNCGNWLGJTD-LUAWRHEFSA-N
MW258.28 g/mol
LogP-2.44
Rot. Bonds3

About 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol

2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol (PubChem CID 143840026) has the molecular formula C9H18N6O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol
PubChem CID143840026
Molecular FormulaC9H18N6O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol
SMILESNC1=NONC1/C(=N/O)N1CCN(CCO)CC1
InChIInChI=1S/C9H18N6O3/c10-8-7(12-18-13-8)9(11-17)15-3-1-14(2-4-15)5-6-16/h7,12,16-17H,1-6H2,(H2,10,13)/b11-9-
InChIKeyKJQYNCGNWLGJTD-LUAWRHEFSA-N
XLogP-2.44
TPSA118.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol;ethane
CID 143840025
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592116
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
CID 76883614
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 76914928
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
CID 76915564

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol (CID 143840026) is 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol is NC1=NONC1/C(=N/O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol?
The InChIKey is KJQYNCGNWLGJTD-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H18N6O3/c10-8-7(12-18-13-8)9(11-17)15-3-1-14(2-4-15)5-6-16/h7,12,16-17H,1-6H2,(H2,10,13)/b11-9-.
What are the key properties of 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol?
2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol has a molecular weight of 258.28 g/mol, XLogP of -2.44, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 143840026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).