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

C15H15N3O5 — CID 29132288

IUPAC3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCC1CC1)c1nc(COc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C15H15N3O5/c19-14(16-6-9-1-2-9)15-17-13(18-23-15)7-20-10-3-4-11-12(5-10)22-8-21-11/h3-5,9H,1-2,6-8H2,(H,16,19)
InChIKeyXYBKBMKDAZNLRB-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.52
Rot. Bonds6

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

3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29132288) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID29132288
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCC1CC1)c1nc(COc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C15H15N3O5/c19-14(16-6-9-1-2-9)15-17-13(18-23-15)7-20-10-3-4-11-12(5-10)22-8-21-11/h3-5,9H,1-2,6-8H2,(H,16,19)
InChIKeyXYBKBMKDAZNLRB-UHFFFAOYSA-N
XLogP1.52
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
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-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 29132288) is 3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCC1CC1)c1nc(COc2ccc3c(c2)OCO3)no1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XYBKBMKDAZNLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c19-14(16-6-9-1-2-9)15-17-13(18-23-15)7-20-10-3-4-11-12(5-10)22-8-21-11/h3-5,9H,1-2,6-8H2,(H,16,19).
What are the key properties of 3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(1,3-benzodioxol-5-yloxymethyl)-N-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 1.52, 6 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-(cyclopropylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29132288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).