2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole

C24H18N2O — CID 126495223

IUPAC2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole
SMILESCn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c2ccccc21
InChIInChI=1S/C24H18N2O/c1-26-16-20(19-14-8-9-15-21(19)26)24-25-22(17-10-4-2-5-11-17)23(27-24)18-12-6-3-7-13-18/h2-16H,1H3
InChIKeyJQFLEIGUJHDWDQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP6.17
Rot. Bonds3

About 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole

2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole (PubChem CID 126495223) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole
PubChem CID126495223
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole
SMILESCn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c2ccccc21
InChIInChI=1S/C24H18N2O/c1-26-16-20(19-14-8-9-15-21(19)26)24-25-22(17-10-4-2-5-11-17)23(27-24)18-12-6-3-7-13-18/h2-16H,1H3
InChIKeyJQFLEIGUJHDWDQ-UHFFFAOYSA-N
XLogP6.17
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole (CID 126495223) is 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole is Cn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is JQFLEIGUJHDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-26-16-20(19-14-8-9-15-21(19)26)24-25-22(17-10-4-2-5-11-17)23(27-24)18-12-6-3-7-13-18/h2-16H,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole?
2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 350.42 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 126495223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).