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

C8H12ClN3O2 — CID 106395539

IUPAC4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESO=C(CCCCl)NCCc1ncno1
InChIInChI=1S/C8H12ClN3O2/c9-4-1-2-7(13)10-5-3-8-11-6-12-14-8/h6H,1-5H2,(H,10,13)
InChIKeyJBQSFLLSSJNTHJ-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.75
Rot. Bonds6

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

4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 106395539) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID106395539
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESO=C(CCCCl)NCCc1ncno1
InChIInChI=1S/C8H12ClN3O2/c9-4-1-2-7(13)10-5-3-8-11-6-12-14-8/h6H,1-5H2,(H,10,13)
InChIKeyJBQSFLLSSJNTHJ-UHFFFAOYSA-N
XLogP0.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397444
3-nitroso-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106374
3-(diaminomethylideneamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106453
CID 156641829
CID 156641829
CID 156641921
CID 156641921
2-(1,2,4-Oxadiazol-5-yl)ethylurea
CID 103743946
1-Butyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743948
2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103743971
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103743987
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744036
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744047
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103744048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 106395539) is 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide is O=C(CCCCl)NCCc1ncno1.
What is the InChIKey of 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is JBQSFLLSSJNTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c9-4-1-2-7(13)10-5-3-8-11-6-12-14-8/h6H,1-5H2,(H,10,13).
What are the key properties of 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 217.66 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 106395539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).