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

C20H18N2O5 — CID 27370181

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C20H18N2O5/c1-13-4-2-3-5-16(13)24-11-20(23)21-10-15-9-18(27-22-15)14-6-7-17-19(8-14)26-12-25-17/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeySNMTWKKWCMWZSV-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.07
Rot. Bonds6

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

N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 27370181) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide
PubChem CID27370181
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C20H18N2O5/c1-13-4-2-3-5-16(13)24-11-20(23)21-10-15-9-18(27-22-15)14-6-7-17-19(8-14)26-12-25-17/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeySNMTWKKWCMWZSV-UHFFFAOYSA-N
XLogP3.07
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.07
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-(2-methylphenoxy)acetamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide (CID 27370181) is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=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-methylphenoxy)acetamide?
The InChIKey is SNMTWKKWCMWZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-13-4-2-3-5-16(13)24-11-20(23)21-10-15-9-18(27-22-15)14-6-7-17-19(8-14)26-12-25-17/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-methylphenoxy)acetamide?
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 366.37 g/mol, XLogP of 3.07, 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-(2-methylphenoxy)acetamide is sourced from PubChem (CID 27370181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).