2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide

C13H14N4O3 — CID 14978594

IUPAC2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1ncon1
InChIInChI=1S/C13H14N4O3/c1-9(18)16-11(12-15-8-20-17-12)13(19)14-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,19)(H,16,18)
InChIKeyMBYSLIGCUYLPAW-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.56
Rot. Bonds5

About 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide

2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 14978594) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide
PubChem CID14978594
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1ncon1
InChIInChI=1S/C13H14N4O3/c1-9(18)16-11(12-15-8-20-17-12)13(19)14-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,19)(H,16,18)
InChIKeyMBYSLIGCUYLPAW-UHFFFAOYSA-N
XLogP0.56
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide (CID 14978594) is 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide is CC(=O)NC(C(=O)NCc1ccccc1)c1ncon1.
What is the InChIKey of 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is MBYSLIGCUYLPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9(18)16-11(12-15-8-20-17-12)13(19)14-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,19)(H,16,18).
What are the key properties of 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide?
2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-(1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 14978594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).