2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane

C6H11ClN2O — CID 145188643

IUPAC2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane
SMILESCC.Cc1nnc(CCl)o1
InChIInChI=1S/C4H5ClN2O.C2H6/c1-3-6-7-4(2-5)8-3;1-2/h2H2,1H3;1-2H3
InChIKeyUPYCZKWCYRCTIV-UHFFFAOYSA-N
MW162.62 g/mol
LogP2.14
Rot. Bonds1

About 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane

2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane (PubChem CID 145188643) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane
PubChem CID145188643
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane
SMILESCC.Cc1nnc(CCl)o1
InChIInChI=1S/C4H5ClN2O.C2H6/c1-3-6-7-4(2-5)8-3;1-2/h2H2,1H3;1-2H3
InChIKeyUPYCZKWCYRCTIV-UHFFFAOYSA-N
XLogP2.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.14
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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine
CID 110651557
O-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine
CID 59479251
2-(chloromethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 53440894
2,5-dimethyl-1,3,4-oxadiazole;propane
CID 143140950
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
potassium;2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone;hydroxide
CID 176636050
2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole
CID 131179232
2-methyl-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656410
2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 54852620
2-(chloromethyl)-5-(trichloromethyl)-1,3,4-oxadiazole
CID 23462322
4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-oxido-1,2,5-oxadiazol-2-ium
CID 139229250
sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate
CID 135389336

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane?
The IUPAC name of 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane (CID 145188643) is 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane is CC.Cc1nnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane?
The InChIKey is UPYCZKWCYRCTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O.C2H6/c1-3-6-7-4(2-5)8-3;1-2/h2H2,1H3;1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane?
2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane has a molecular weight of 162.62 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane is sourced from PubChem (CID 145188643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).