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

C10H15BrN2O2 — CID 63012070

IUPAC2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2CCCOC2)o1
InChIInChI=1S/C10H15BrN2O2/c1-2-8(11)10-13-12-9(15-10)7-4-3-5-14-6-7/h7-8H,2-6H2,1H3
InChIKeySXIAIHAUKPQVGZ-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.81
Rot. Bonds3

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

2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole (PubChem CID 63012070) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
PubChem CID63012070
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2CCCOC2)o1
InChIInChI=1S/C10H15BrN2O2/c1-2-8(11)10-13-12-9(15-10)7-4-3-5-14-6-7/h7-8H,2-6H2,1H3
InChIKeySXIAIHAUKPQVGZ-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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Related Compounds

N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63014214
N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859100
2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole
CID 79759200
2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole
CID 107000560
N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55151254
2-(1-bromopropyl)-5-(cycloheptylmethyl)-1,3,4-oxadiazole
CID 114457250
2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 154807280
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 167743789
2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 114771335
3,3-dimethyl-4-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55151252
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62905353

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole (CID 63012070) is 2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole is CCC(Br)c1nnc(C2CCCOC2)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The InChIKey is SXIAIHAUKPQVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-2-8(11)10-13-12-9(15-10)7-4-3-5-14-6-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-(oxan-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-(oxan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 63012070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).