2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide

C8H13N3O2 — CID 110677310

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide
SMILESCc1noc(CC(=O)NC(C)C)n1
InChIInChI=1S/C8H13N3O2/c1-5(2)9-7(12)4-8-10-6(3)11-13-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyZFHVSGKKDYKFTK-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.45
Rot. Bonds3

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide (PubChem CID 110677310) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide
PubChem CID110677310
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide
SMILESCc1noc(CC(=O)NC(C)C)n1
InChIInChI=1S/C8H13N3O2/c1-5(2)9-7(12)4-8-10-6(3)11-13-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyZFHVSGKKDYKFTK-UHFFFAOYSA-N
XLogP0.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide (CID 110677310) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide is Cc1noc(CC(=O)NC(C)C)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide?
The InChIKey is ZFHVSGKKDYKFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)9-7(12)4-8-10-6(3)11-13-8/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide has a molecular weight of 183.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110677310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).