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

C7H11N3O2 — CID 103670410

IUPAC2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1ncon1
InChIInChI=1S/C7H11N3O2/c1-5(2)7(11)8-3-6-9-4-12-10-6/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyFQJMGOOQZBQIDF-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.34
Rot. Bonds3

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

2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 103670410) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID103670410
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1ncon1
InChIInChI=1S/C7H11N3O2/c1-5(2)7(11)8-3-6-9-4-12-10-6/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyFQJMGOOQZBQIDF-UHFFFAOYSA-N
XLogP0.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 103670410) is 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(C)C(=O)NCc1ncon1.
What is the InChIKey of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is FQJMGOOQZBQIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(2)7(11)8-3-6-9-4-12-10-6/h4-5H,3H2,1-2H3,(H,8,11).
What are the key properties of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 169.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 103670410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).