2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole

C24H19N3O — CID 68657629

IUPAC2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCc6ccccc65)nc4c3)ccc21
InChIInChI=1S/C24H19N3O/c1-26-12-10-19-14-17(6-8-21(19)26)18-7-9-23-20(15-18)25-24(28-23)27-13-11-16-4-2-3-5-22(16)27/h2-10,12,14-15H,11,13H2,1H3
InChIKeyHKYQCNLLJQOSBX-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.68
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole

2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole (PubChem CID 68657629) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
PubChem CID68657629
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCc6ccccc65)nc4c3)ccc21
InChIInChI=1S/C24H19N3O/c1-26-12-10-19-14-17(6-8-21(19)26)18-7-9-23-20(15-18)25-24(28-23)27-13-11-16-4-2-3-5-22(16)27/h2-10,12,14-15H,11,13H2,1H3
InChIKeyHKYQCNLLJQOSBX-UHFFFAOYSA-N
XLogP5.68
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole (CID 68657629) is 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole is Cn1ccc2cc(-c3ccc4oc(N5CCc6ccccc65)nc4c3)ccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The InChIKey is HKYQCNLLJQOSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-26-12-10-19-14-17(6-8-21(19)26)18-7-9-23-20(15-18)25-24(28-23)27-13-11-16-4-2-3-5-22(16)27/h2-10,12,14-15H,11,13H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole has a molecular weight of 365.44 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 68657629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).