N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide

C14H19N3O3 — CID 81303015

IUPACN'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C14H19N3O3/c1-19-9-4-5-12(14(15)16-18)13(6-9)17-7-10-2-3-11(8-17)20-10/h4-6,10-11,18H,2-3,7-8H2,1H3,(H2,15,16)
InChIKeyUPOJZZGKMRSCNH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.16
Rot. Bonds3

About N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide

N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide (PubChem CID 81303015) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
PubChem CID81303015
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C14H19N3O3/c1-19-9-4-5-12(14(15)16-18)13(6-9)17-7-10-2-3-11(8-17)20-10/h4-6,10-11,18H,2-3,7-8H2,1H3,(H2,15,16)
InChIKeyUPOJZZGKMRSCNH-UHFFFAOYSA-N
XLogP1.16
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide (CID 81303015) is N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide is COc1ccc(/C(N)=N/O)c(N2CC3CCC(C2)O3)c1.
What is the InChIKey of N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide?
The InChIKey is UPOJZZGKMRSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-9-4-5-12(14(15)16-18)13(6-9)17-7-10-2-3-11(8-17)20-10/h4-6,10-11,18H,2-3,7-8H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide?
N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide has a molecular weight of 277.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide is sourced from PubChem (CID 81303015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).