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

C18H12BrClN4O2 — CID 167530860

IUPAC2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CCc3nc(-c4ccc(Br)cc4)no3)o2)cc1
InChIInChI=1S/C18H12BrClN4O2/c19-13-5-1-11(2-6-13)17-21-15(26-24-17)9-10-16-22-23-18(25-16)12-3-7-14(20)8-4-12/h1-8H,9-10H2
InChIKeyGFDRNTSRAQAKGM-UHFFFAOYSA-N
MW431.68 g/mol
LogP4.99
Rot. Bonds5

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

2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 167530860) 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-(4-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
PubChem CID167530860
Molecular FormulaC18H12BrClN4O2
Molecular Weight431.68 g/mol
Exact Mass429.98
IUPAC Name2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CCc3nc(-c4ccc(Br)cc4)no3)o2)cc1
InChIInChI=1S/C18H12BrClN4O2/c19-13-5-1-11(2-6-13)17-21-15(26-24-17)9-10-16-22-23-18(25-16)12-3-7-14(20)8-4-12/h1-8H,9-10H2
InChIKeyGFDRNTSRAQAKGM-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole (CID 167530860) is 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CCc3nc(-c4ccc(Br)cc4)no3)o2)cc1.
What is the InChIKey of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is GFDRNTSRAQAKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4O2/c19-13-5-1-11(2-6-13)17-21-15(26-24-17)9-10-16-22-23-18(25-16)12-3-7-14(20)8-4-12/h1-8H,9-10H2.
What are the key properties of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(4-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-(4-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 167530860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).