2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide

C19H22N2O6 — CID 56707690

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H22N2O6/c1-21(9-14-4-2-3-7-23-14)19(22)15-10-25-18(20-15)11-24-13-5-6-16-17(8-13)27-12-26-16/h5-6,8,10,14H,2-4,7,9,11-12H2,1H3
InChIKeyLELJPVIDPKPXDV-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.62
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide

2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 56707690) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID56707690
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H22N2O6/c1-21(9-14-4-2-3-7-23-14)19(22)15-10-25-18(20-15)11-24-13-5-6-16-17(8-13)27-12-26-16/h5-6,8,10,14H,2-4,7,9,11-12H2,1H3
InChIKeyLELJPVIDPKPXDV-UHFFFAOYSA-N
XLogP2.62
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 56707690) is 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide is CN(CC1CCCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LELJPVIDPKPXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-21(9-14-4-2-3-7-23-14)19(22)15-10-25-18(20-15)11-24-13-5-6-16-17(8-13)27-12-26-16/h5-6,8,10,14H,2-4,7,9,11-12H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56707690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).