5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole

C17H14BrN5O — CID 53095306

IUPAC5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1nnc2cc(-c3noc(-c4ccccc4Br)n3)ccc21
InChIInChI=1S/C17H14BrN5O/c1-2-9-23-15-8-7-11(10-14(15)20-22-23)16-19-17(24-21-16)12-5-3-4-6-13(12)18/h3-8,10H,2,9H2,1H3
InChIKeyGAKHSFHEHIRXNJ-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.32
Rot. Bonds4

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

5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53095306) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
PubChem CID53095306
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1nnc2cc(-c3noc(-c4ccccc4Br)n3)ccc21
InChIInChI=1S/C17H14BrN5O/c1-2-9-23-15-8-7-11(10-14(15)20-22-23)16-19-17(24-21-16)12-5-3-4-6-13(12)18/h3-8,10H,2,9H2,1H3
InChIKeyGAKHSFHEHIRXNJ-UHFFFAOYSA-N
XLogP4.32
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-propylbenzotriazol-5-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 53095322
5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53095311
5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141122
5-(2-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53095215
2-[5-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-N,N-dimethylethanamine
CID 53179931
3-(3,5-dimethylphenyl)-5-(1-propylbenzotriazol-4-yl)-1,2,4-oxadiazole
CID 175923428
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53095225
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030953
5-(2-bromophenyl)-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 3935591
2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 156522216
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole (CID 53095306) is 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole is CCCn1nnc2cc(-c3noc(-c4ccccc4Br)n3)ccc21.
What is the InChIKey of 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is GAKHSFHEHIRXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c1-2-9-23-15-8-7-11(10-14(15)20-22-23)16-19-17(24-21-16)12-5-3-4-6-13(12)18/h3-8,10H,2,9H2,1H3.
What are the key properties of 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole?
5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 384.24 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53095306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).