2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole

C23H15N5O — CID 2234193

IUPAC2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)cc1
InChIInChI=1S/C23H15N5O/c1-2-8-15(9-3-1)23-27-26-20(29-23)14-28-19-13-7-4-10-16(19)21-22(28)25-18-12-6-5-11-17(18)24-21/h1-13H,14H2
InChIKeyUEWMKLSBIPQCFX-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.84
Rot. Bonds3

About 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole

2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 2234193) has the molecular formula C23H15N5O and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID2234193
Molecular FormulaC23H15N5O
Molecular Weight377.41 g/mol
Exact Mass377.13
IUPAC Name2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)cc1
InChIInChI=1S/C23H15N5O/c1-2-8-15(9-3-1)23-27-26-20(29-23)14-28-19-13-7-4-10-16(19)21-22(28)25-18-12-6-5-11-17(18)24-21/h1-13H,14H2
InChIKeyUEWMKLSBIPQCFX-UHFFFAOYSA-N
XLogP4.84
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole (CID 2234193) is 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)cc1.
What is the InChIKey of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UEWMKLSBIPQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O/c1-2-8-15(9-3-1)23-27-26-20(29-23)14-28-19-13-7-4-10-16(19)21-22(28)25-18-12-6-5-11-17(18)24-21/h1-13H,14H2.
What are the key properties of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 377.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2234193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).