2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide

C9H9N3O2 — CID 83877658

IUPAC2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc2ncoc12)=N\O
InChIInChI=1S/C9H9N3O2/c10-8(12-13)4-6-2-1-3-7-9(6)14-5-11-7/h1-3,5,13H,4H2,(H2,10,12)
InChIKeyHEUKISVVLVBPAR-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.12
Rot. Bonds2

About 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide

2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide (PubChem CID 83877658) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide
PubChem CID83877658
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc2ncoc12)=N\O
InChIInChI=1S/C9H9N3O2/c10-8(12-13)4-6-2-1-3-7-9(6)14-5-11-7/h1-3,5,13H,4H2,(H2,10,12)
InChIKeyHEUKISVVLVBPAR-UHFFFAOYSA-N
XLogP1.12
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.12
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide (CID 83877658) is 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide is N/C(Cc1cccc2ncoc12)=N\O.
What is the InChIKey of 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide?
The InChIKey is HEUKISVVLVBPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-8(12-13)4-6-2-1-3-7-9(6)14-5-11-7/h1-3,5,13H,4H2,(H2,10,12).
What are the key properties of 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide?
2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide has a molecular weight of 191.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-7-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 83877658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).