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

C15H13BrN2O — CID 62856201

IUPAC2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C15H13BrN2O/c1-2-13(16)15-18-17-14(19-15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3
InChIKeyVIZHVJQYRVOMRY-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.74
Rot. Bonds3

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

2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole (PubChem CID 62856201) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
PubChem CID62856201
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C15H13BrN2O/c1-2-13(16)15-18-17-14(19-15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3
InChIKeyVIZHVJQYRVOMRY-UHFFFAOYSA-N
XLogP4.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
2-(1-bromopropyl)-5-(4-methylsulfanylphenyl)-1,3,4-oxadiazole
CID 79215563
2-(1-bromopropyl)-5-(3-propoxyphenyl)-1,3,4-oxadiazole
CID 62919503
2-(1-bromopropyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 62856200
2-(1-bromopropyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 62854380
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 114771088
2-(1-bromopropyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
CID 135969132
2-(1-bromopropyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 62856211
2-[4-(bromomethyl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 141345170
2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 62856199
2-(1-bromopropyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 62856513

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole (CID 62856201) is 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole is CCC(Br)c1nnc(-c2ccc3ccccc3c2)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole?
The InChIKey is VIZHVJQYRVOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-2-13(16)15-18-17-14(19-15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3.
What are the key properties of 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole has a molecular weight of 317.19 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 62856201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).