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

C16H18N2O5 — CID 17253891

IUPAC2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C16H18N2O5/c1-10(2)17-16(19)8-20-7-12-6-14(23-18-12)11-3-4-13-15(5-11)22-9-21-13/h3-6,10H,7-9H2,1-2H3,(H,17,19)
InChIKeyJLOSEZUJJXJIPS-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.11
Rot. Bonds6

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

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide (PubChem CID 17253891) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide
PubChem CID17253891
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C16H18N2O5/c1-10(2)17-16(19)8-20-7-12-6-14(23-18-12)11-3-4-13-15(5-11)22-9-21-13/h3-6,10H,7-9H2,1-2H3,(H,17,19)
InChIKeyJLOSEZUJJXJIPS-UHFFFAOYSA-N
XLogP2.11
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.11
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-propan-2-ylacetamide?
The IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide (CID 17253891) is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide is CC(C)NC(=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-propan-2-ylacetamide?
The InChIKey is JLOSEZUJJXJIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10(2)17-16(19)8-20-7-12-6-14(23-18-12)11-3-4-13-15(5-11)22-9-21-13/h3-6,10H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide?
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylacetamide has a molecular weight of 318.33 g/mol, XLogP of 2.11, 6 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-propan-2-ylacetamide is sourced from PubChem (CID 17253891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).