[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone

C15H15N3O5 — CID 39349230

IUPAC[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(COc2ccc3c(c2)OCO3)no1)N1CCCC1
InChIInChI=1S/C15H15N3O5/c19-15(18-5-1-2-6-18)14-16-13(17-23-14)8-20-10-3-4-11-12(7-10)22-9-21-11/h3-4,7H,1-2,5-6,8-9H2
InChIKeyKSDGORPNXXNDGX-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.61
Rot. Bonds4

About [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone

[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 39349230) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID39349230
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(COc2ccc3c(c2)OCO3)no1)N1CCCC1
InChIInChI=1S/C15H15N3O5/c19-15(18-5-1-2-6-18)14-16-13(17-23-14)8-20-10-3-4-11-12(7-10)22-9-21-11/h3-4,7H,1-2,5-6,8-9H2
InChIKeyKSDGORPNXXNDGX-UHFFFAOYSA-N
XLogP1.61
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 39349230) is [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1nc(COc2ccc3c(c2)OCO3)no1)N1CCCC1.
What is the InChIKey of [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KSDGORPNXXNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c19-15(18-5-1-2-6-18)14-16-13(17-23-14)8-20-10-3-4-11-12(7-10)22-9-21-11/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 317.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 39349230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).