2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole

C7H11ClN2O2 — CID 62588931

IUPAC2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
SMILESCOCCc1nnc(CCCl)o1
InChIInChI=1S/C7H11ClN2O2/c1-11-5-3-7-10-9-6(12-7)2-4-8/h2-5H2,1H3
InChIKeyPRGQJJQMDSDVJW-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.04
Rot. Bonds5

About 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole (PubChem CID 62588931) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
PubChem CID62588931
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
SMILESCOCCc1nnc(CCCl)o1
InChIInChI=1S/C7H11ClN2O2/c1-11-5-3-7-10-9-6(12-7)2-4-8/h2-5H2,1H3
InChIKeyPRGQJJQMDSDVJW-UHFFFAOYSA-N
XLogP1.04
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62589148
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]arsane
CID 173259055
2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 114771639
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62589702
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
1-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
CID 106957421
2-(2-chloroethyl)-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39420176
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958155
2-[(4-tert-butylphenoxy)methyl]-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39404103
2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 122164310

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole (CID 62588931) is 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole is COCCc1nnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole?
The InChIKey is PRGQJJQMDSDVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-11-5-3-7-10-9-6(12-7)2-4-8/h2-5H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole has a molecular weight of 190.63 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 62588931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).