2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide

C18H16N2O5S — CID 17253886

IUPAC2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCc1cccs1
InChIInChI=1S/C18H16N2O5S/c21-18(19-8-14-2-1-5-26-14)10-22-9-13-7-16(25-20-13)12-3-4-15-17(6-12)24-11-23-15/h1-7H,8-11H2,(H,19,21)
InChIKeyWEHOLOSCYTYQHV-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.96
Rot. Bonds7

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

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17253886) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17253886
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCc1cccs1
InChIInChI=1S/C18H16N2O5S/c21-18(19-8-14-2-1-5-26-14)10-22-9-13-7-16(25-20-13)12-3-4-15-17(6-12)24-11-23-15/h1-7H,8-11H2,(H,19,21)
InChIKeyWEHOLOSCYTYQHV-UHFFFAOYSA-N
XLogP2.96
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide (CID 17253886) is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide is O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCc1cccs1.
What is the InChIKey of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WEHOLOSCYTYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-18(19-8-14-2-1-5-26-14)10-22-9-13-7-16(25-20-13)12-3-4-15-17(6-12)24-11-23-15/h1-7H,8-11H2,(H,19,21).
What are the key properties of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide?
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 372.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17253886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).