2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

C8H8ClN3O2 — CID 43513256

IUPAC2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCc1oncc1-c1nnc(CCCl)o1
InChIInChI=1S/C8H8ClN3O2/c1-5-6(4-10-14-5)8-12-11-7(13-8)2-3-9/h4H,2-3H2,1H3
InChIKeyCGXLYNUZQRQHCY-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole (PubChem CID 43513256) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
PubChem CID43513256
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCc1oncc1-c1nnc(CCCl)o1
InChIInChI=1S/C8H8ClN3O2/c1-5-6(4-10-14-5)8-12-11-7(13-8)2-3-9/h4H,2-3H2,1H3
InChIKeyCGXLYNUZQRQHCY-UHFFFAOYSA-N
XLogP1.81
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-(2,6-dimethyl-3-pyridinyl)-1,3,4-oxadiazole
CID 62830773
2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 130516109
2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 114771182
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 65307879
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
CID 66463788
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255
2-(2-chloroethyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39356118
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
1-[5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070255
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole (CID 43513256) is 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole is Cc1oncc1-c1nnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is CGXLYNUZQRQHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-5-6(4-10-14-5)8-12-11-7(13-8)2-3-9/h4H,2-3H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 213.62 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 43513256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).