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

C8H12ClN3O2 — CID 106395536

IUPAC3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(CCl)C(=O)NCCc1ncno1
InChIInChI=1S/C8H12ClN3O2/c1-6(4-9)8(13)10-3-2-7-11-5-12-14-7/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyJISBKVBCVXXGCG-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.60
Rot. Bonds5

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

3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 106395536) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID106395536
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(CCl)C(=O)NCCc1ncno1
InChIInChI=1S/C8H12ClN3O2/c1-6(4-9)8(13)10-3-2-7-11-5-12-14-7/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyJISBKVBCVXXGCG-UHFFFAOYSA-N
XLogP0.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.60
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 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 106395536) is 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(CCl)C(=O)NCCc1ncno1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is JISBKVBCVXXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-6(4-9)8(13)10-3-2-7-11-5-12-14-7/h5-6H,2-4H2,1H3,(H,10,13).
What are the key properties of 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 217.66 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106395536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).