3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C8H12ClN3O2 — CID 106395513

IUPAC3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(CCl)C(=O)NCc1ncon1
InChIInChI=1S/C8H12ClN3O2/c1-8(2,4-9)7(13)10-3-6-11-5-14-12-6/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyHVRRCKKCSWQFIC-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.95
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106395513) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106395513
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(CCl)C(=O)NCc1ncon1
InChIInChI=1S/C8H12ClN3O2/c1-8(2,4-9)7(13)10-3-6-11-5-14-12-6/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyHVRRCKKCSWQFIC-UHFFFAOYSA-N
XLogP0.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.95
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-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106395513) is 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(C)(CCl)C(=O)NCc1ncon1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is HVRRCKKCSWQFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-8(2,4-9)7(13)10-3-6-11-5-14-12-6/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 217.66 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106395513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).