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

C20H18N2O6 — CID 27370178

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C20H18N2O6/c1-24-15-4-2-3-5-16(15)25-11-20(23)21-10-14-9-18(28-22-14)13-6-7-17-19(8-13)27-12-26-17/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyDFVUQOAPRHTBRS-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.77
Rot. Bonds7

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

N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 27370178) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID27370178
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C20H18N2O6/c1-24-15-4-2-3-5-16(15)25-11-20(23)21-10-14-9-18(28-22-14)13-6-7-17-19(8-13)27-12-26-17/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyDFVUQOAPRHTBRS-UHFFFAOYSA-N
XLogP2.77
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (CID 27370178) is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is DFVUQOAPRHTBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-24-15-4-2-3-5-16(15)25-11-20(23)21-10-14-9-18(28-22-14)13-6-7-17-19(8-13)27-12-26-17/h2-9H,10-12H2,1H3,(H,21,23).
What are the key properties of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 382.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 27370178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).