N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide

C7H7N3O2 — CID 45099279

IUPACN-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCC(=O)Nc1onc(C)c1C#N
InChIInChI=1S/C7H7N3O2/c1-4-6(3-8)7(12-10-4)9-5(2)11/h1-2H3,(H,9,11)
InChIKeyXNLFWQIUOGAYCP-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.81
Rot. Bonds1

About N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide

N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 45099279) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID45099279
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC NameN-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCC(=O)Nc1onc(C)c1C#N
InChIInChI=1S/C7H7N3O2/c1-4-6(3-8)7(12-10-4)9-5(2)11/h1-2H3,(H,9,11)
InChIKeyXNLFWQIUOGAYCP-UHFFFAOYSA-N
XLogP0.81
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide (CID 45099279) is N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide is CC(=O)Nc1onc(C)c1C#N.
What is the InChIKey of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is XNLFWQIUOGAYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-6(3-8)7(12-10-4)9-5(2)11/h1-2H3,(H,9,11).
What are the key properties of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide?
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 165.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 45099279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).