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

C5H6ClN3O2 — CID 106395498

IUPAC2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESO=C(CCl)NCc1ncon1
InChIInChI=1S/C5H6ClN3O2/c6-1-5(10)7-2-4-8-3-11-9-4/h3H,1-2H2,(H,7,10)
InChIKeyWELNQCQIUVIBDX-UHFFFAOYSA-N
MW175.58 g/mol
LogP-0.08
Rot. Bonds3

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

2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (PubChem CID 106395498) has the molecular formula C5H6ClN3O2 and a molecular weight of 175.58 g/mol. Its IUPAC name is 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
PubChem CID106395498
Molecular FormulaC5H6ClN3O2
Molecular Weight175.58 g/mol
Exact Mass175.01
IUPAC Name2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESO=C(CCl)NCc1ncon1
InChIInChI=1S/C5H6ClN3O2/c6-1-5(10)7-2-4-8-3-11-9-4/h3H,1-2H2,(H,7,10)
InChIKeyWELNQCQIUVIBDX-UHFFFAOYSA-N
XLogP-0.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 5-0.08
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)acetamide?
The IUPAC name of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (CID 106395498) is 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide is O=C(CCl)NCc1ncon1.
What is the InChIKey of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The InChIKey is WELNQCQIUVIBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O2/c6-1-5(10)7-2-4-8-3-11-9-4/h3H,1-2H2,(H,7,10).
What are the key properties of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide has a molecular weight of 175.58 g/mol, XLogP of -0.08, 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)acetamide is sourced from PubChem (CID 106395498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).