3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide

C6H9N3O2 — CID 89267025

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
SMILESCc1nc(CCC(N)=O)no1
InChIInChI=1S/C6H9N3O2/c1-4-8-6(9-11-4)3-2-5(7)10/h2-3H2,1H3,(H2,7,10)
InChIKeyWSLJFGAAFNPTBZ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.20
Rot. Bonds3

About 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide

3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide (PubChem CID 89267025) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
PubChem CID89267025
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
SMILESCc1nc(CCC(N)=O)no1
InChIInChI=1S/C6H9N3O2/c1-4-8-6(9-11-4)3-2-5(7)10/h2-3H2,1H3,(H2,7,10)
InChIKeyWSLJFGAAFNPTBZ-UHFFFAOYSA-N
XLogP-0.20
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide (CID 89267025) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide is Cc1nc(CCC(N)=O)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide?
The InChIKey is WSLJFGAAFNPTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-8-6(9-11-4)3-2-5(7)10/h2-3H2,1H3,(H2,7,10).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide has a molecular weight of 155.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 89267025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).