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

C10H14Cl2N4O2 — CID 161311247

IUPAC5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CCl)n1.CCc1noc(CCl)n1
InChIInChI=1S/2C5H7ClN2O/c2*1-2-4-7-5(3-6)9-8-4/h2*2-3H2,1H3
InChIKeyVIXLPBMOPCRQCK-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.74
Rot. Bonds4

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

5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 161311247) has the molecular formula C10H14Cl2N4O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
PubChem CID161311247
Molecular FormulaC10H14Cl2N4O2
Molecular Weight293.15 g/mol
Exact Mass292.05
IUPAC Name5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CCl)n1.CCc1noc(CCl)n1
InChIInChI=1S/2C5H7ClN2O/c2*1-2-4-7-5(3-6)9-8-4/h2*2-3H2,1H3
InChIKeyVIXLPBMOPCRQCK-UHFFFAOYSA-N
XLogP2.74
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
CID 19928671
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
CID 64671837
5-(chloromethyl)-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 65137998
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152043
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 130569000
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106523822
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 97184939

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole (CID 161311247) is 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(CCl)n1.CCc1noc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is VIXLPBMOPCRQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7ClN2O/c2*1-2-4-7-5(3-6)9-8-4/h2*2-3H2,1H3.
What are the key properties of 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole?
5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 293.15 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 161311247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).