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

C6H8ClN3O2 — CID 106395504

IUPAC2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(Cl)C(=O)NCc1ncon1
InChIInChI=1S/C6H8ClN3O2/c1-4(7)6(11)8-2-5-9-3-12-10-5/h3-4H,2H2,1H3,(H,8,11)
InChIKeyPVQCLVFZOPHLCZ-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.31
Rot. Bonds3

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

2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106395504) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106395504
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(Cl)C(=O)NCc1ncon1
InChIInChI=1S/C6H8ClN3O2/c1-4(7)6(11)8-2-5-9-3-12-10-5/h3-4H,2H2,1H3,(H,8,11)
InChIKeyPVQCLVFZOPHLCZ-UHFFFAOYSA-N
XLogP0.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.31
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-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106395504) is 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(Cl)C(=O)NCc1ncon1.
What is the InChIKey of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is PVQCLVFZOPHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c1-4(7)6(11)8-2-5-9-3-12-10-5/h3-4H,2H2,1H3,(H,8,11).
What are the key properties of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 189.60 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106395504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).