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

C17H20N2O5 — CID 20906168

IUPAC2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C17H20N2O5/c1-17(2,3)18-16(20)9-21-8-12-7-14(24-19-12)11-4-5-13-15(6-11)23-10-22-13/h4-7H,8-10H2,1-3H3,(H,18,20)
InChIKeyKOCXMKBHWJMBQK-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.50
Rot. Bonds5

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

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide (PubChem CID 20906168) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide
PubChem CID20906168
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C17H20N2O5/c1-17(2,3)18-16(20)9-21-8-12-7-14(24-19-12)11-4-5-13-15(6-11)23-10-22-13/h4-7H,8-10H2,1-3H3,(H,18,20)
InChIKeyKOCXMKBHWJMBQK-UHFFFAOYSA-N
XLogP2.50
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.50
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-tert-butylacetamide?
The IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide (CID 20906168) is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide is CC(C)(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-tert-butylacetamide?
The InChIKey is KOCXMKBHWJMBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-17(2,3)18-16(20)9-21-8-12-7-14(24-19-12)11-4-5-13-15(6-11)23-10-22-13/h4-7H,8-10H2,1-3H3,(H,18,20).
What are the key properties of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide?
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide has a molecular weight of 332.36 g/mol, XLogP of 2.50, 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-tert-butylacetamide is sourced from PubChem (CID 20906168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).