2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole

C7H11BrN2O2 — CID 114771401

IUPAC2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole
SMILESCCOCCCc1nnc(Br)o1
InChIInChI=1S/C7H11BrN2O2/c1-2-11-5-3-4-6-9-10-7(8)12-6/h2-5H2,1H3
InChIKeySKFKAUWSOHNARE-UHFFFAOYSA-N
MW235.08 g/mol
LogP1.80
Rot. Bonds5

About 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole

2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole (PubChem CID 114771401) has the molecular formula C7H11BrN2O2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole
PubChem CID114771401
Molecular FormulaC7H11BrN2O2
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole
SMILESCCOCCCc1nnc(Br)o1
InChIInChI=1S/C7H11BrN2O2/c1-2-11-5-3-4-6-9-10-7(8)12-6/h2-5H2,1H3
InChIKeySKFKAUWSOHNARE-UHFFFAOYSA-N
XLogP1.80
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropyl)-5-iodo-1,3,4-oxadiazole
CID 114771817
2-chloro-5-(3-ethoxypropyl)-1,3,4-oxadiazole
CID 114771018
2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole
CID 114771328
2-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole
CID 114771387
2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 114771093
3-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070936
2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole
CID 164651903
5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958155
N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967947
2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 78831817
3-(bromomethyl)-5-(3-ethoxypropyl)-4-propyl-1,2,4-triazole
CID 115399778

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole (CID 114771401) is 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole is CCOCCCc1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole?
The InChIKey is SKFKAUWSOHNARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2/c1-2-11-5-3-4-6-9-10-7(8)12-6/h2-5H2,1H3.
What are the key properties of 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole?
2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole has a molecular weight of 235.08 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).