5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C15H11BrN2O2 — CID 752271

IUPAC5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C15H11BrN2O2/c1-19-11-8-6-10(7-9-11)14-17-15(20-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
InChIKeyBFATUAFJWKATIK-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.17
Rot. Bonds3

About 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 752271) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID752271
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C15H11BrN2O2/c1-19-11-8-6-10(7-9-11)14-17-15(20-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
InChIKeyBFATUAFJWKATIK-UHFFFAOYSA-N
XLogP4.17
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromophenyl)-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 3935591
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411790
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
5-(2-bromo-5-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742628
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937985
5-(2-bromophenyl)-3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2029273
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912387

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 752271) is 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccccc3Br)n2)cc1.
What is the InChIKey of 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BFATUAFJWKATIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-19-11-8-6-10(7-9-11)14-17-15(20-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3.
What are the key properties of 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 331.17 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 752271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).