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

C10H15BrN2O2 — CID 79759200

IUPAC2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2CCOC2C)o1
InChIInChI=1S/C10H15BrN2O2/c1-3-8(11)10-13-12-9(15-10)7-4-5-14-6(7)2/h6-8H,3-5H2,1-2H3
InChIKeyLVWZXENYJUDBNJ-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.81
Rot. Bonds3

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

2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole (PubChem CID 79759200) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole
PubChem CID79759200
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2CCOC2C)o1
InChIInChI=1S/C10H15BrN2O2/c1-3-8(11)10-13-12-9(15-10)7-4-5-14-6(7)2/h6-8H,3-5H2,1-2H3
InChIKeyLVWZXENYJUDBNJ-UHFFFAOYSA-N
XLogP2.81
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.81
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 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole (CID 79759200) is 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole is CCC(Br)c1nnc(C2CCOC2C)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole?
The InChIKey is LVWZXENYJUDBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-3-8(11)10-13-12-9(15-10)7-4-5-14-6(7)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole has a molecular weight of 275.15 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 79759200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).