N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide

C18H19N3O6 — CID 72908842

IUPACN-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1
InChIInChI=1S/C18H19N3O6/c1-11(22)19-12-4-5-21(7-12)18(23)14-8-25-17(20-14)9-24-13-2-3-15-16(6-13)27-10-26-15/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,19,22)
InChIKeyYMWQWISDTONZCF-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.33
Rot. Bonds5

About N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide

N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 72908842) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID72908842
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1
InChIInChI=1S/C18H19N3O6/c1-11(22)19-12-4-5-21(7-12)18(23)14-8-25-17(20-14)9-24-13-2-3-15-16(6-13)27-10-26-15/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,19,22)
InChIKeyYMWQWISDTONZCF-UHFFFAOYSA-N
XLogP1.33
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide (CID 72908842) is N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1.
What is the InChIKey of N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is YMWQWISDTONZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-11(22)19-12-4-5-21(7-12)18(23)14-8-25-17(20-14)9-24-13-2-3-15-16(6-13)27-10-26-15/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,19,22).
What are the key properties of N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 373.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72908842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).