2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide

C14H14N2O5 — CID 50757777

IUPAC2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
SMILESCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C14H14N2O5/c1-15-14(17)7-18-6-10-5-12(21-16-10)9-2-3-11-13(4-9)20-8-19-11/h2-5H,6-8H2,1H3,(H,15,17)
InChIKeyXGUUZDBUJDQZGG-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.33
Rot. Bonds5

About 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide (PubChem CID 50757777) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
PubChem CID50757777
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
SMILESCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C14H14N2O5/c1-15-14(17)7-18-6-10-5-12(21-16-10)9-2-3-11-13(4-9)20-8-19-11/h2-5H,6-8H2,1H3,(H,15,17)
InChIKeyXGUUZDBUJDQZGG-UHFFFAOYSA-N
XLogP1.33
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide?
The IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide (CID 50757777) is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide?
The canonical SMILES for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide is CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide?
The InChIKey is XGUUZDBUJDQZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-15-14(17)7-18-6-10-5-12(21-16-10)9-2-3-11-13(4-9)20-8-19-11/h2-5H,6-8H2,1H3,(H,15,17).
What are the key properties of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide?
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide has a molecular weight of 290.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide is sourced from PubChem (CID 50757777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).