2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide

C9H12ClN3O2 — CID 166403701

IUPAC2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
SMILESCc1nc(C2(NC(=O)CCl)CCC2)no1
InChIInChI=1S/C9H12ClN3O2/c1-6-11-8(13-15-6)9(3-2-4-9)12-7(14)5-10/h2-5H2,1H3,(H,12,14)
InChIKeyJBSMOBJRBQFMPA-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.11
Rot. Bonds3

About 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide

2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide (PubChem CID 166403701) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
PubChem CID166403701
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
SMILESCc1nc(C2(NC(=O)CCl)CCC2)no1
InChIInChI=1S/C9H12ClN3O2/c1-6-11-8(13-15-6)9(3-2-4-9)12-7(14)5-10/h2-5H2,1H3,(H,12,14)
InChIKeyJBSMOBJRBQFMPA-UHFFFAOYSA-N
XLogP1.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide (CID 166403701) is 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide is Cc1nc(C2(NC(=O)CCl)CCC2)no1.
What is the InChIKey of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide?
The InChIKey is JBSMOBJRBQFMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6-11-8(13-15-6)9(3-2-4-9)12-7(14)5-10/h2-5H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide?
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide has a molecular weight of 229.67 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide is sourced from PubChem (CID 166403701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).