3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

C12H20N4O3 — CID 91833949

IUPAC3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCc1nc(CCNC(=O)CC(C)NC(C)=O)no1
InChIInChI=1S/C12H20N4O3/c1-4-12-15-10(16-19-12)5-6-13-11(18)7-8(2)14-9(3)17/h8H,4-7H2,1-3H3,(H,13,18)(H,14,17)
InChIKeyPQVSSXGXVXHYKU-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.21
Rot. Bonds7

About 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 91833949) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID91833949
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCc1nc(CCNC(=O)CC(C)NC(C)=O)no1
InChIInChI=1S/C12H20N4O3/c1-4-12-15-10(16-19-12)5-6-13-11(18)7-8(2)14-9(3)17/h8H,4-7H2,1-3H3,(H,13,18)(H,14,17)
InChIKeyPQVSSXGXVXHYKU-UHFFFAOYSA-N
XLogP0.21
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 91833949) is 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is CCc1nc(CCNC(=O)CC(C)NC(C)=O)no1.
What is the InChIKey of 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is PQVSSXGXVXHYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-12-15-10(16-19-12)5-6-13-11(18)7-8(2)14-9(3)17/h8H,4-7H2,1-3H3,(H,13,18)(H,14,17).
What are the key properties of 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 268.32 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 91833949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).