2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide

C6H8ClN3O2 — CID 106395534

IUPAC2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESO=C(CCl)NCCc1ncno1
InChIInChI=1S/C6H8ClN3O2/c7-3-5(11)8-2-1-6-9-4-10-12-6/h4H,1-3H2,(H,8,11)
InChIKeyWXKUEYYYOGMUGS-UHFFFAOYSA-N
MW189.60 g/mol
LogP-0.03
Rot. Bonds4

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

2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 106395534) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID106395534
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESO=C(CCl)NCCc1ncno1
InChIInChI=1S/C6H8ClN3O2/c7-3-5(11)8-2-1-6-9-4-10-12-6/h4H,1-3H2,(H,8,11)
InChIKeyWXKUEYYYOGMUGS-UHFFFAOYSA-N
XLogP-0.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 5-0.03
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-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 106395534) is 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide is O=C(CCl)NCCc1ncno1.
What is the InChIKey of 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is WXKUEYYYOGMUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c7-3-5(11)8-2-1-6-9-4-10-12-6/h4H,1-3H2,(H,8,11).
What are the key properties of 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 189.60 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 106395534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).