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

C16H17N3O5 — CID 29140594

IUPAC3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1nc(COc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C16H17N3O5/c20-15(17-10-3-1-2-4-10)16-18-14(19-24-16)8-21-11-5-6-12-13(7-11)23-9-22-12/h5-7,10H,1-4,8-9H2,(H,17,20)
InChIKeyFUMMTZAFLCMOQK-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.05
Rot. Bonds5

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

3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29140594) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID29140594
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1nc(COc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C16H17N3O5/c20-15(17-10-3-1-2-4-10)16-18-14(19-24-16)8-21-11-5-6-12-13(7-11)23-9-22-12/h5-7,10H,1-4,8-9H2,(H,17,20)
InChIKeyFUMMTZAFLCMOQK-UHFFFAOYSA-N
XLogP2.05
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.05
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-cyclopentyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide (CID 29140594) is 3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCCC1)c1nc(COc2ccc3c(c2)OCO3)no1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is FUMMTZAFLCMOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-15(17-10-3-1-2-4-10)16-18-14(19-24-16)8-21-11-5-6-12-13(7-11)23-9-22-12/h5-7,10H,1-4,8-9H2,(H,17,20).
What are the key properties of 3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide?
3-(1,3-benzodioxol-5-yloxymethyl)-N-cyclopentyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.05, 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-cyclopentyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29140594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).