5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide

C14H15N3O4 — CID 6625523

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C14H15N3O4/c1-2-5-15-13(18)14-17-16-12(21-14)7-9-3-4-10-11(6-9)20-8-19-10/h3-4,6H,2,5,7-8H2,1H3,(H,15,18)
InChIKeyKUJZEDJHOYDBTI-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.53
Rot. Bonds5

About 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide

5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 6625523) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID6625523
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C14H15N3O4/c1-2-5-15-13(18)14-17-16-12(21-14)7-9-3-4-10-11(6-9)20-8-19-10/h3-4,6H,2,5,7-8H2,1H3,(H,15,18)
InChIKeyKUJZEDJHOYDBTI-UHFFFAOYSA-N
XLogP1.53
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide (CID 6625523) is 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide is CCCNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KUJZEDJHOYDBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-5-15-13(18)14-17-16-12(21-14)7-9-3-4-10-11(6-9)20-8-19-10/h3-4,6H,2,5,7-8H2,1H3,(H,15,18).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide?
5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 6625523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).