2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole

C11H10BrFN2O — CID 107951358

IUPAC2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2cccc(Br)c2F)o1
InChIInChI=1S/C11H10BrFN2O/c1-2-4-9-14-15-11(16-9)7-5-3-6-8(12)10(7)13/h3,5-6H,2,4H2,1H3
InChIKeyHBYYXOOAFRRFOZ-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.59
Rot. Bonds3

About 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole

2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole (PubChem CID 107951358) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole
PubChem CID107951358
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2cccc(Br)c2F)o1
InChIInChI=1S/C11H10BrFN2O/c1-2-4-9-14-15-11(16-9)7-5-3-6-8(12)10(7)13/h3,5-6H,2,4H2,1H3
InChIKeyHBYYXOOAFRRFOZ-UHFFFAOYSA-N
XLogP3.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 107949600
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 107952660
1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107952684
[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
CID 58343827
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
3-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81262985
3-[5-(2-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81477223
2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate
CID 174997540
2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 107951352
5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 107954850
4-[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55099628

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole (CID 107951358) is 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole is CCCc1nnc(-c2cccc(Br)c2F)o1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole?
The InChIKey is HBYYXOOAFRRFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-2-4-9-14-15-11(16-9)7-5-3-6-8(12)10(7)13/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole?
2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole has a molecular weight of 285.12 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 107951358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).