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

C7H11BrN2O — CID 62856708

IUPAC5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(Br)CC)n1
InChIInChI=1S/C7H11BrN2O/c1-3-5(8)7-9-6(4-2)10-11-7/h5H,3-4H2,1-2H3
InChIKeyUKGYIEDUVZAAKE-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.48
Rot. Bonds3

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

5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 62856708) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole
PubChem CID62856708
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(Br)CC)n1
InChIInChI=1S/C7H11BrN2O/c1-3-5(8)7-9-6(4-2)10-11-7/h5H,3-4H2,1-2H3
InChIKeyUKGYIEDUVZAAKE-UHFFFAOYSA-N
XLogP2.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.48
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

5-(1-bromopropyl)-3-propyl-1,2,4-oxadiazole
CID 62854731
5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 143984841
5-(1-bromopropyl)-3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66063971
5-(diethoxymethyl)-3-ethyl-1,2,4-oxadiazole
CID 63772870
3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
CID 131201821
5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79203015
5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 62854721
5-(1-bromopropyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62854734
5-(1-bromopropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 62854732
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine
CID 70568927
methyl 3-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoate
CID 162468885

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole (CID 62856708) is 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(C(Br)CC)n1.
What is the InChIKey of 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is UKGYIEDUVZAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-3-5(8)7-9-6(4-2)10-11-7/h5H,3-4H2,1-2H3.
What are the key properties of 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole?
5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 219.08 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 62856708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).