5-bromo-3-propyl-1,2,4-oxadiazole

C5H7BrN2O — CID 115079835

IUPAC5-bromo-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Br)n1
InChIInChI=1S/C5H7BrN2O/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3
InChIKeyRCTCAQIZFUAOAV-UHFFFAOYSA-N
MW191.03 g/mol
LogP1.78
Rot. Bonds2

About 5-bromo-3-propyl-1,2,4-oxadiazole

5-bromo-3-propyl-1,2,4-oxadiazole (PubChem CID 115079835) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 5-bromo-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-bromo-3-propyl-1,2,4-oxadiazole
PubChem CID115079835
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name5-bromo-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Br)n1
InChIInChI=1S/C5H7BrN2O/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3
InChIKeyRCTCAQIZFUAOAV-UHFFFAOYSA-N
XLogP1.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 115079641
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
ethane;3-propyl-1,2,4-oxadiazol-5-amine
CID 153346311
5-(1-bromopropyl)-3-propyl-1,2,4-oxadiazole
CID 62854731
5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
CID 30029760
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
5-nitro-3-propyl-1,2,4-oxadiazole
CID 35206721
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
CID 130708265
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 55038851

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-bromo-3-propyl-1,2,4-oxadiazole (CID 115079835) is 5-bromo-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-bromo-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-bromo-3-propyl-1,2,4-oxadiazole is CCCc1noc(Br)n1.
What is the InChIKey of 5-bromo-3-propyl-1,2,4-oxadiazole?
The InChIKey is RCTCAQIZFUAOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3.
What are the key properties of 5-bromo-3-propyl-1,2,4-oxadiazole?
5-bromo-3-propyl-1,2,4-oxadiazole has a molecular weight of 191.03 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 115079835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).