2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole

C24H19N3O — CID 90665353

IUPAC2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4nc(N5Cc6ccccc6C5)oc4c3)ccc21
InChIInChI=1S/C24H19N3O/c1-26-11-10-18-12-16(7-9-22(18)26)17-6-8-21-23(13-17)28-24(25-21)27-14-19-4-2-3-5-20(19)15-27/h2-13H,14-15H2,1H3
InChIKeyBCVLOOHHYPIHBK-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.51
Rot. Bonds2

About 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole

2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole (PubChem CID 90665353) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole
PubChem CID90665353
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4nc(N5Cc6ccccc6C5)oc4c3)ccc21
InChIInChI=1S/C24H19N3O/c1-26-11-10-18-12-16(7-9-22(18)26)17-6-8-21-23(13-17)28-24(25-21)27-14-19-4-2-3-5-20(19)15-27/h2-13H,14-15H2,1H3
InChIKeyBCVLOOHHYPIHBK-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole (CID 90665353) is 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole is Cn1ccc2cc(-c3ccc4nc(N5Cc6ccccc6C5)oc4c3)ccc21.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole?
The InChIKey is BCVLOOHHYPIHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-26-11-10-18-12-16(7-9-22(18)26)17-6-8-21-23(13-17)28-24(25-21)27-14-19-4-2-3-5-20(19)15-27/h2-13H,14-15H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole?
2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole has a molecular weight of 365.44 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 90665353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).