N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide

C11H16N4O5 — CID 79680718

IUPACN'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide
SMILESCOCc1cc(C(=O)N2CCOC(C(N)=NO)C2)no1
InChIInChI=1S/C11H16N4O5/c1-18-6-7-4-8(14-20-7)11(16)15-2-3-19-9(5-15)10(12)13-17/h4,9,17H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyKIMDOAHEQZQJLP-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.59
Rot. Bonds4

About N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide

N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide (PubChem CID 79680718) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide
PubChem CID79680718
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC NameN'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide
SMILESCOCc1cc(C(=O)N2CCOC(C(N)=NO)C2)no1
InChIInChI=1S/C11H16N4O5/c1-18-6-7-4-8(14-20-7)11(16)15-2-3-19-9(5-15)10(12)13-17/h4,9,17H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyKIMDOAHEQZQJLP-UHFFFAOYSA-N
XLogP-0.59
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide (CID 79680718) is N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide is COCc1cc(C(=O)N2CCOC(C(N)=NO)C2)no1.
What is the InChIKey of N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide?
The InChIKey is KIMDOAHEQZQJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-18-6-7-4-8(14-20-7)11(16)15-2-3-19-9(5-15)10(12)13-17/h4,9,17H,2-3,5-6H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide has a molecular weight of 284.27 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79680718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).