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

C11H10BrFN2O — CID 82489563

IUPAC5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H10BrFN2O/c1-6(2)10-14-11(16-15-10)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3
InChIKeyBMZXUCKMIHNAKX-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.76
Rot. Bonds2

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

5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 82489563) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID82489563
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H10BrFN2O/c1-6(2)10-14-11(16-15-10)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3
InChIKeyBMZXUCKMIHNAKX-UHFFFAOYSA-N
XLogP3.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28541006
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 82788331
4-fluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 60836239
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150
3-(3-bromo-4-fluorophenyl)-5-(1-chloroethyl)-1,2,4-oxadiazole
CID 82797957
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 82880062
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634511
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660664
2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79613731

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole (CID 82489563) is 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(-c2ccc(F)c(Br)c2)n1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is BMZXUCKMIHNAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-6(2)10-14-11(16-15-10)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3.
What are the key properties of 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 285.12 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82489563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).