6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole

C30H16N4O3 — CID 126749743

IUPAC6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole
SMILESc1ccc2c(c1)oc1c2c2ccccc2n1-c1noc(-n2c3ccccc3c3c4ccccc4oc32)n1
InChIInChI=1S/C30H16N4O3/c1-5-13-21-17(9-1)25-19-11-3-7-15-23(19)35-27(25)33(21)29-31-30(37-32-29)34-22-14-6-2-10-18(22)26-20-12-4-8-16-24(20)36-28(26)34/h1-16H
InChIKeyLBSMKKXAUGEKRE-UHFFFAOYSA-N
MW480.48 g/mol
LogP7.76
Rot. Bonds2

About 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole

6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole (PubChem CID 126749743) has the molecular formula C30H16N4O3 and a molecular weight of 480.48 g/mol. Its IUPAC name is 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole
PubChem CID126749743
Molecular FormulaC30H16N4O3
Molecular Weight480.48 g/mol
Exact Mass480.12
IUPAC Name6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole
SMILESc1ccc2c(c1)oc1c2c2ccccc2n1-c1noc(-n2c3ccccc3c3c4ccccc4oc32)n1
InChIInChI=1S/C30H16N4O3/c1-5-13-21-17(9-1)25-19-11-3-7-15-23(19)35-27(25)33(21)29-31-30(37-32-29)34-22-14-6-2-10-18(22)26-20-12-4-8-16-24(20)36-28(26)34/h1-16H
InChIKeyLBSMKKXAUGEKRE-UHFFFAOYSA-N
XLogP7.76
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.48
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole?
The IUPAC name of 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole (CID 126749743) is 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole is c1ccc2c(c1)oc1c2c2ccccc2n1-c1noc(-n2c3ccccc3c3c4ccccc4oc32)n1.
What is the InChIKey of 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole?
The InChIKey is LBSMKKXAUGEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4O3/c1-5-13-21-17(9-1)25-19-11-3-7-15-23(19)35-27(25)33(21)29-31-30(37-32-29)34-22-14-6-2-10-18(22)26-20-12-4-8-16-24(20)36-28(26)34/h1-16H.
What are the key properties of 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole?
6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole has a molecular weight of 480.48 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-([1]benzofuro[2,3-b]indol-6-yl)-1,2,4-oxadiazol-5-yl]-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 126749743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).