3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole

C5H7ClN2O — CID 19928671

IUPAC3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CCl)no1
InChIInChI=1S/C5H7ClN2O/c1-2-5-7-4(3-6)8-9-5/h2-3H2,1H3
InChIKeyPGYXLMWYFOXGGN-UHFFFAOYSA-N
MW146.58 g/mol
LogP1.37
Rot. Bonds2

About 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole

3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole (PubChem CID 19928671) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
PubChem CID19928671
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CCl)no1
InChIInChI=1S/C5H7ClN2O/c1-2-5-7-4(3-6)8-9-5/h2-3H2,1H3
InChIKeyPGYXLMWYFOXGGN-UHFFFAOYSA-N
XLogP1.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
CID 161311247
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 130569000
3-(chloromethyl)-5-(propoxymethyl)-1,2,4-oxadiazole
CID 107939303
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
3-(chloromethyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 56686896
3-(chloromethyl)-5-(pyridin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 56686859
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
CID 115888896
3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 52734301
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687933
4,5,6,7-tetrachloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]isoindole-1,3-dione
CID 56521713
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole (CID 19928671) is 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole is CCc1nc(CCl)no1.
What is the InChIKey of 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole?
The InChIKey is PGYXLMWYFOXGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c1-2-5-7-4(3-6)8-9-5/h2-3H2,1H3.
What are the key properties of 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole?
3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole has a molecular weight of 146.58 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 19928671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).