N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide

C11H14N2O3 — CID 76999043

IUPACN'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OC2CCOC2)cc1
InChIInChI=1S/C11H14N2O3/c12-11(13-14)8-1-3-9(4-2-8)16-10-5-6-15-7-10/h1-4,10,14H,5-7H2,(H2,12,13)
InChIKeyQXCZQKMRYGFIEF-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.95
Rot. Bonds3

About N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide

N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide (PubChem CID 76999043) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
PubChem CID76999043
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OC2CCOC2)cc1
InChIInChI=1S/C11H14N2O3/c12-11(13-14)8-1-3-9(4-2-8)16-10-5-6-15-7-10/h1-4,10,14H,5-7H2,(H2,12,13)
InChIKeyQXCZQKMRYGFIEF-UHFFFAOYSA-N
XLogP0.95
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 43188242
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 59504749
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977
3-[4-(N'-hydroxycarbamimidoyl)phenoxy]cyclobutane-1-carboxylic acid
CID 123332608
N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide
CID 107656852
N'-hydroxy-3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483290
2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 114883519
2-chloro-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 55213919
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
CID 136990868
N'-hydroxy-6-(oxan-4-yloxy)pyridine-3-carboximidamide
CID 61288784

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide (CID 76999043) is N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide is NC(=NO)c1ccc(OC2CCOC2)cc1.
What is the InChIKey of N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide?
The InChIKey is QXCZQKMRYGFIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-11(13-14)8-1-3-9(4-2-8)16-10-5-6-15-7-10/h1-4,10,14H,5-7H2,(H2,12,13).
What are the key properties of N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide?
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide has a molecular weight of 222.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide is sourced from PubChem (CID 76999043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).