3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole

C13H9BrN2O2 — CID 715522

IUPAC3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C13H9BrN2O2/c1-8-4-2-3-5-9(8)13-15-12(16-18-13)10-6-7-11(14)17-10/h2-7H,1H3
InChIKeyBSEYQWSYIXNDMN-UHFFFAOYSA-N
MW305.13 g/mol
LogP4.07
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole

3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 715522) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID715522
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C13H9BrN2O2/c1-8-4-2-3-5-9(8)13-15-12(16-18-13)10-6-7-11(14)17-10/h2-7H,1H3
InChIKeyBSEYQWSYIXNDMN-UHFFFAOYSA-N
XLogP4.07
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 715522) is 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(-c2ccc(Br)o2)no1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BSEYQWSYIXNDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c1-8-4-2-3-5-9(8)13-15-12(16-18-13)10-6-7-11(14)17-10/h2-7H,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 305.13 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 715522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).