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

C18H12BrClN4O2 — CID 167530873

IUPAC2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(CCc2nc(-c3ccc(Br)cc3)no2)o1
InChIInChI=1S/C18H12BrClN4O2/c19-12-7-5-11(6-8-12)17-21-15(26-24-17)9-10-16-22-23-18(25-16)13-3-1-2-4-14(13)20/h1-8H,9-10H2
InChIKeyXXDCQBPXUXKOOD-UHFFFAOYSA-N
MW431.68 g/mol
LogP4.99
Rot. Bonds5

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

2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 167530873) has the molecular formula C18H12BrClN4O2 and a molecular weight of 431.68 g/mol. Its IUPAC name is 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
PubChem CID167530873
Molecular FormulaC18H12BrClN4O2
Molecular Weight431.68 g/mol
Exact Mass429.98
IUPAC Name2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(CCc2nc(-c3ccc(Br)cc3)no2)o1
InChIInChI=1S/C18H12BrClN4O2/c19-12-7-5-11(6-8-12)17-21-15(26-24-17)9-10-16-22-23-18(25-16)13-3-1-2-4-14(13)20/h1-8H,9-10H2
InChIKeyXXDCQBPXUXKOOD-UHFFFAOYSA-N
XLogP4.99
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.68
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

CID 53153498
CID 53153498
CID 53153500
CID 53153500
CID 53153503
CID 53153503
CID 49665097
CID 49665097
CID 49665099
CID 49665099
CID 164907768
CID 164907768
CID 8237682
CID 8237682
CID 24521136
CID 24521136
CID 25514507
CID 25514507
CID 53153523
CID 53153523
CID 53153611
CID 53153611
CID 154805826
CID 154805826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole (CID 167530873) is 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole is Clc1ccccc1-c1nnc(CCc2nc(-c3ccc(Br)cc3)no2)o1.
What is the InChIKey of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is XXDCQBPXUXKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4O2/c19-12-7-5-11(6-8-12)17-21-15(26-24-17)9-10-16-22-23-18(25-16)13-3-1-2-4-14(13)20/h1-8H,9-10H2.
What are the key properties of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole?
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 431.68 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 167530873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).