3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

C21H14BrN3O2 — CID 118722142

IUPAC3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1
InChIInChI=1S/C21H14BrN3O2/c22-15-7-5-13(6-8-15)18-9-10-19(26-18)21-24-20(27-25-21)11-14-12-23-17-4-2-1-3-16(14)17/h1-10,12,23H,11H2
InChIKeyZPDYQAQKHYBEFS-UHFFFAOYSA-N
MW420.27 g/mol
LogP5.83
Rot. Bonds4

About 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 118722142) has the molecular formula C21H14BrN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID118722142
Molecular FormulaC21H14BrN3O2
Molecular Weight420.27 g/mol
Exact Mass419.03
IUPAC Name3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1
InChIInChI=1S/C21H14BrN3O2/c22-15-7-5-13(6-8-15)18-9-10-19(26-18)21-24-20(27-25-21)11-14-12-23-17-4-2-1-3-16(14)17/h1-10,12,23H,11H2
InChIKeyZPDYQAQKHYBEFS-UHFFFAOYSA-N
XLogP5.83
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.27
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole
CID 118721831
5-(1H-indol-3-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104106
5-(1H-indol-3-ylmethyl)-3-[3-(3-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 127027705
5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 127028684
3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one
CID 100690024
3-[3-(4-ethoxyphenyl)phenyl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 127028022
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 45268094
[2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81312269
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
CID 135636020
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289
5-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104110
3-[[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole
CID 6981566

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (CID 118722142) is 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is Brc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1.
What is the InChIKey of 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is ZPDYQAQKHYBEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O2/c22-15-7-5-13(6-8-15)18-9-10-19(26-18)21-24-20(27-25-21)11-14-12-23-17-4-2-1-3-16(14)17/h1-10,12,23H,11H2.
What are the key properties of 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 420.27 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118722142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).