2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide

C14H14N2O5 — CID 110611849

IUPAC2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
SMILESCONC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C
InChIInChI=1S/C14H14N2O5/c1-8-10(6-13(17)16-18-2)15-14(21-8)9-3-4-11-12(5-9)20-7-19-11/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyWHAAGQLISBKIIB-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.60
Rot. Bonds4

About 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide

2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide (PubChem CID 110611849) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
PubChem CID110611849
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
SMILESCONC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C
InChIInChI=1S/C14H14N2O5/c1-8-10(6-13(17)16-18-2)15-14(21-8)9-3-4-11-12(5-9)20-7-19-11/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyWHAAGQLISBKIIB-UHFFFAOYSA-N
XLogP1.60
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide (CID 110611849) is 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide is CONC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide?
The InChIKey is WHAAGQLISBKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8-10(6-13(17)16-18-2)15-14(21-8)9-3-4-11-12(5-9)20-7-19-11/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide?
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide has a molecular weight of 290.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide is sourced from PubChem (CID 110611849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).