5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole

C17H12BrN3O2 — CID 53141122

IUPAC5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(-c4ccccc4Br)n3)ccc2o1
InChIInChI=1S/C17H12BrN3O2/c1-2-15-19-13-9-10(7-8-14(13)22-15)16-20-17(23-21-16)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3
InChIKeyQGHQEONAYKMYTQ-UHFFFAOYSA-N
MW370.21 g/mol
LogP4.87
Rot. Bonds3

About 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole

5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole (PubChem CID 53141122) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
PubChem CID53141122
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(-c4ccccc4Br)n3)ccc2o1
InChIInChI=1S/C17H12BrN3O2/c1-2-15-19-13-9-10(7-8-14(13)22-15)16-20-17(23-21-16)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3
InChIKeyQGHQEONAYKMYTQ-UHFFFAOYSA-N
XLogP4.87
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141081
5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141101
2-ethyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141093
5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53095306
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
2-ethyl-5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141127
2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141178
5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole
CID 53141117
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53140950
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141163
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole?
The IUPAC name of 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole (CID 53141122) is 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole is CCc1nc2cc(-c3noc(-c4ccccc4Br)n3)ccc2o1.
What is the InChIKey of 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole?
The InChIKey is QGHQEONAYKMYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c1-2-15-19-13-9-10(7-8-14(13)22-15)16-20-17(23-21-16)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3.
What are the key properties of 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole?
5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole has a molecular weight of 370.21 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole is sourced from PubChem (CID 53141122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).