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

C19H16N2O5 — CID 27370164

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C19H16N2O5/c22-19(11-23-15-4-2-1-3-5-15)20-10-14-9-17(26-21-14)13-6-7-16-18(8-13)25-12-24-16/h1-9H,10-12H2,(H,20,22)
InChIKeyXJHUJBYUAIIEGQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.77
Rot. Bonds6

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

N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide (PubChem CID 27370164) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide
PubChem CID27370164
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C19H16N2O5/c22-19(11-23-15-4-2-1-3-5-15)20-10-14-9-17(26-21-14)13-6-7-16-18(8-13)25-12-24-16/h1-9H,10-12H2,(H,20,22)
InChIKeyXJHUJBYUAIIEGQ-UHFFFAOYSA-N
XLogP2.77
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide (CID 27370164) is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCc1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide?
The InChIKey is XJHUJBYUAIIEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-19(11-23-15-4-2-1-3-5-15)20-10-14-9-17(26-21-14)13-6-7-16-18(8-13)25-12-24-16/h1-9H,10-12H2,(H,20,22).
What are the key properties of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide?
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide has a molecular weight of 352.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 27370164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).