3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole

C11H11BrN2O — CID 86697340

IUPAC3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cc(C)c(Br)c(C)c2)no1
InChIInChI=1S/C11H11BrN2O/c1-6-4-9(5-7(2)10(6)12)11-13-8(3)15-14-11/h4-5H,1-3H3
InChIKeyZKJWIXYSNQZPPG-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.42
Rot. Bonds1

About 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole

3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 86697340) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID86697340
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cc(C)c(Br)c(C)c2)no1
InChIInChI=1S/C11H11BrN2O/c1-6-4-9(5-7(2)10(6)12)11-13-8(3)15-14-11/h4-5H,1-3H3
InChIKeyZKJWIXYSNQZPPG-UHFFFAOYSA-N
XLogP3.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
CID 135449004
3-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 114329402
3-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 114329314
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329296
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114329249
(2S)-2-amino-2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104916032
[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 114329286
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 114329273
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 114329248
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
3-amino-1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837393
2-[[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 114331132

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole (CID 86697340) is 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2cc(C)c(Br)c(C)c2)no1.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is ZKJWIXYSNQZPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-6-4-9(5-7(2)10(6)12)11-13-8(3)15-14-11/h4-5H,1-3H3.
What are the key properties of 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole?
3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 267.13 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 86697340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).