2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide

C10H18N4O2 — CID 106396937

IUPAC2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESCCC(CC)(CN)C(=O)NCc1ncon1
InChIInChI=1S/C10H18N4O2/c1-3-10(4-2,6-11)9(15)12-5-8-13-7-16-14-8/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyPOBOXRFAGUQSGY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.45
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide

2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (PubChem CID 106396937) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
PubChem CID106396937
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESCCC(CC)(CN)C(=O)NCc1ncon1
InChIInChI=1S/C10H18N4O2/c1-3-10(4-2,6-11)9(15)12-5-8-13-7-16-14-8/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyPOBOXRFAGUQSGY-UHFFFAOYSA-N
XLogP0.45
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (CID 106396937) is 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is CCC(CC)(CN)C(=O)NCc1ncon1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The InChIKey is POBOXRFAGUQSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-10(4-2,6-11)9(15)12-5-8-13-7-16-14-8/h7H,3-6,11H2,1-2H3,(H,12,15).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide has a molecular weight of 226.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is sourced from PubChem (CID 106396937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).