5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C16H14BrN3O2 — CID 1255446

IUPAC5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1cc(OCc2nc(-c3cccnc3)no2)c(C)cc1Br
InChIInChI=1S/C16H14BrN3O2/c1-10-7-14(11(2)6-13(10)17)21-9-15-19-16(20-22-15)12-4-3-5-18-8-12/h3-8H,9H2,1-2H3
InChIKeyOGEKXUKXHQETHK-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.09
Rot. Bonds4

About 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 1255446) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID1255446
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1cc(OCc2nc(-c3cccnc3)no2)c(C)cc1Br
InChIInChI=1S/C16H14BrN3O2/c1-10-7-14(11(2)6-13(10)17)21-9-15-19-16(20-22-15)12-4-3-5-18-8-12/h3-8H,9H2,1-2H3
InChIKeyOGEKXUKXHQETHK-UHFFFAOYSA-N
XLogP4.09
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-{5-[(2-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 874555
4-[5-(Phenoxymethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2274654
5-[(2-Bromo-4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2269543
5-[(2-Bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 664814
3-{5-[(4-Bromo-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 753475
5-[(3,4-Dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 783729
3-{5-[(3-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 845224
1-[(4-Bromo-2,5-dimethylphenoxy)acetyl]-4-(2-pyridinyl)piperazine
CID 1255744
2-{5-[(2-Bromo-4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 2203505
5-[(2-Bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2942559
ST061946
CID 868157
5-[(2,5-Dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 845251

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 1255446) is 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1cc(OCc2nc(-c3cccnc3)no2)c(C)cc1Br.
What is the InChIKey of 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is OGEKXUKXHQETHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-10-7-14(11(2)6-13(10)17)21-9-15-19-16(20-22-15)12-4-3-5-18-8-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 360.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 1255446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).