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

C12H13BrN2O2 — CID 62856199

IUPAC2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C12H13BrN2O2/c1-3-9(13)12-15-14-11(17-12)8-6-4-5-7-10(8)16-2/h4-7,9H,3H2,1-2H3
InChIKeyZWRNQUDLCZURKE-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.59
Rot. Bonds4

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

2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 62856199) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID62856199
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C12H13BrN2O2/c1-3-9(13)12-15-14-11(17-12)8-6-4-5-7-10(8)16-2/h4-7,9H,3H2,1-2H3
InChIKeyZWRNQUDLCZURKE-UHFFFAOYSA-N
XLogP3.59
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.59
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

2-(1-bromopropyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 62856513
1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857640
3-[5-(1-bromopropyl)-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 82829775
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82133202
2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole
CID 62856351
2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 62856201
2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669994
2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole
CID 55124393
2-(1-bromopropyl)-5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 106860714
3-[5-(1-bromopropyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one
CID 136812235
2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole (CID 62856199) is 2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole is CCC(Br)c1nnc(-c2ccccc2OC)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is ZWRNQUDLCZURKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-3-9(13)12-15-14-11(17-12)8-6-4-5-7-10(8)16-2/h4-7,9H,3H2,1-2H3.
What are the key properties of 2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 297.15 g/mol, XLogP of 3.59, 4 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-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 62856199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).