2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

C15H11BrFN3O — CID 107280132

IUPAC2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(-c2ccc(F)cc2Br)no1
InChIInChI=1S/C15H11BrFN3O/c1-18-13-5-3-2-4-11(13)15-19-14(20-21-15)10-7-6-9(17)8-12(10)16/h2-8,18H,1H3
InChIKeyNLEZFPZQTNTLJQ-UHFFFAOYSA-N
MW348.18 g/mol
LogP4.35
Rot. Bonds3

About 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (PubChem CID 107280132) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
PubChem CID107280132
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC Name2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(-c2ccc(F)cc2Br)no1
InChIInChI=1S/C15H11BrFN3O/c1-18-13-5-3-2-4-11(13)15-19-14(20-21-15)10-7-6-9(17)8-12(10)16/h2-8,18H,1H3
InChIKeyNLEZFPZQTNTLJQ-UHFFFAOYSA-N
XLogP4.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 62387567
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107280112
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795657
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
2-amino-4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136843029
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960
4-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888916
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 107283100
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841053
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107282915

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The IUPAC name of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (CID 107280132) is 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.
What is the SMILES notation for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The canonical SMILES for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is CNc1ccccc1-c1nc(-c2ccc(F)cc2Br)no1.
What is the InChIKey of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The InChIKey is NLEZFPZQTNTLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c1-18-13-5-3-2-4-11(13)15-19-14(20-21-15)10-7-6-9(17)8-12(10)16/h2-8,18H,1H3.
What are the key properties of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline has a molecular weight of 348.18 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is sourced from PubChem (CID 107280132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).