3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide

C14H15N3O5 — CID 29129680

IUPAC3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1nc(COc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C14H15N3O5/c1-8(2)15-13(18)14-16-12(17-22-14)6-19-9-3-4-10-11(5-9)21-7-20-10/h3-5,8H,6-7H2,1-2H3,(H,15,18)
InChIKeyXSIVZUAZGNBNHS-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.52
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide

3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29129680) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID29129680
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1nc(COc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C14H15N3O5/c1-8(2)15-13(18)14-16-12(17-22-14)6-19-9-3-4-10-11(5-9)21-7-20-10/h3-5,8H,6-7H2,1-2H3,(H,15,18)
InChIKeyXSIVZUAZGNBNHS-UHFFFAOYSA-N
XLogP1.52
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 29129680) is 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is CC(C)NC(=O)c1nc(COc2ccc3c(c2)OCO3)no1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XSIVZUAZGNBNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-8(2)15-13(18)14-16-12(17-22-14)6-19-9-3-4-10-11(5-9)21-7-20-10/h3-5,8H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yloxymethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29129680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).