2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide

C18H17N3O4 — CID 54271565

IUPAC2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1COc1nc2ccccc2o1
InChIInChI=1S/C18H17N3O4/c1-19-17(22)16(21-23-2)13-8-4-3-7-12(13)11-24-18-20-14-9-5-6-10-15(14)25-18/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRKMSMCWEEQFMGO-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.50
Rot. Bonds6

About 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide

2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 54271565) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID54271565
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1COc1nc2ccccc2o1
InChIInChI=1S/C18H17N3O4/c1-19-17(22)16(21-23-2)13-8-4-3-7-12(13)11-24-18-20-14-9-5-6-10-15(14)25-18/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRKMSMCWEEQFMGO-UHFFFAOYSA-N
XLogP2.50
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide (CID 54271565) is 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)C(=NOC)c1ccccc1COc1nc2ccccc2o1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is RKMSMCWEEQFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-19-17(22)16(21-23-2)13-8-4-3-7-12(13)11-24-18-20-14-9-5-6-10-15(14)25-18/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide?
2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 339.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 54271565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).