N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C6H9N3O2 — CID 103670378

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCCC(=O)NCc1ncon1
InChIInChI=1S/C6H9N3O2/c1-2-6(10)7-3-5-8-4-11-9-5/h4H,2-3H2,1H3,(H,7,10)
InChIKeyXAGPJSOJKQEVRI-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.10
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 103670378) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID103670378
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCCC(=O)NCc1ncon1
InChIInChI=1S/C6H9N3O2/c1-2-6(10)7-3-5-8-4-11-9-5/h4H,2-3H2,1H3,(H,7,10)
InChIKeyXAGPJSOJKQEVRI-UHFFFAOYSA-N
XLogP0.10
TPSA68.02 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 ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 103670378) is N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CCC(=O)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is XAGPJSOJKQEVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-6(10)7-3-5-8-4-11-9-5/h4H,2-3H2,1H3,(H,7,10).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 155.16 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 103670378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).