5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole

C9H15BrN2O2 — CID 79203015

IUPAC5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCCC(Br)c1nc(C(C)(C)OC)no1
InChIInChI=1S/C9H15BrN2O2/c1-5-6(10)7-11-8(12-14-7)9(2,3)13-4/h6H,5H2,1-4H3
InChIKeyAWVVZUBPDASAJR-UHFFFAOYSA-N
MW263.13 g/mol
LogP2.80
Rot. Bonds4

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

5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (PubChem CID 79203015) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
PubChem CID79203015
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCCC(Br)c1nc(C(C)(C)OC)no1
InChIInChI=1S/C9H15BrN2O2/c1-5-6(10)7-11-8(12-14-7)9(2,3)13-4/h6H,5H2,1-4H3
InChIKeyAWVVZUBPDASAJR-UHFFFAOYSA-N
XLogP2.80
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (CID 79203015) is 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is CCC(Br)c1nc(C(C)(C)OC)no1.
What is the InChIKey of 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is AWVVZUBPDASAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-5-6(10)7-11-8(12-14-7)9(2,3)13-4/h6H,5H2,1-4H3.
What are the key properties of 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 263.13 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79203015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).