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

C9H14ClN3O2 — CID 106395550

IUPAC3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)(CCl)C(=O)NCCc1ncno1
InChIInChI=1S/C9H14ClN3O2/c1-9(2,5-10)8(14)11-4-3-7-12-6-13-15-7/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyQCGITXYBZAKXKI-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.99
Rot. Bonds5

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

3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 106395550) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID106395550
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)(CCl)C(=O)NCCc1ncno1
InChIInChI=1S/C9H14ClN3O2/c1-9(2,5-10)8(14)11-4-3-7-12-6-13-15-7/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyQCGITXYBZAKXKI-UHFFFAOYSA-N
XLogP0.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.99
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-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 106395550) is 3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(C)(CCl)C(=O)NCCc1ncno1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is QCGITXYBZAKXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-9(2,5-10)8(14)11-4-3-7-12-6-13-15-7/h6H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 231.68 g/mol, XLogP of 0.99, 5 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-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106395550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).