3,5-bis(1-methylindol-3-yl)-1,2-oxazole

C21H17N3O — CID 46871761

IUPAC3,5-bis(1-methylindol-3-yl)-1,2-oxazole
SMILESCn1cc(-c2cc(-c3cn(C)c4ccccc34)on2)c2ccccc21
InChIInChI=1S/C21H17N3O/c1-23-12-16(14-7-3-5-9-19(14)23)18-11-21(25-22-18)17-13-24(2)20-10-6-4-8-15(17)20/h3-13H,1-2H3
InChIKeyUYHPZBDAIHBDGQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.99
Rot. Bonds2

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

3,5-bis(1-methylindol-3-yl)-1,2-oxazole (PubChem CID 46871761) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3,5-bis(1-methylindol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(1-methylindol-3-yl)-1,2-oxazole
PubChem CID46871761
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name3,5-bis(1-methylindol-3-yl)-1,2-oxazole
SMILESCn1cc(-c2cc(-c3cn(C)c4ccccc34)on2)c2ccccc21
InChIInChI=1S/C21H17N3O/c1-23-12-16(14-7-3-5-9-19(14)23)18-11-21(25-22-18)17-13-24(2)20-10-6-4-8-15(17)20/h3-13H,1-2H3
InChIKeyUYHPZBDAIHBDGQ-UHFFFAOYSA-N
XLogP4.99
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-bis(1-methylindol-3-yl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-methylindol-3-yl)-1,2-oxazole?
The IUPAC name of 3,5-bis(1-methylindol-3-yl)-1,2-oxazole (CID 46871761) is 3,5-bis(1-methylindol-3-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-bis(1-methylindol-3-yl)-1,2-oxazole?
The canonical SMILES for 3,5-bis(1-methylindol-3-yl)-1,2-oxazole is Cn1cc(-c2cc(-c3cn(C)c4ccccc34)on2)c2ccccc21.
What is the InChIKey of 3,5-bis(1-methylindol-3-yl)-1,2-oxazole?
The InChIKey is UYHPZBDAIHBDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-23-12-16(14-7-3-5-9-19(14)23)18-11-21(25-22-18)17-13-24(2)20-10-6-4-8-15(17)20/h3-13H,1-2H3.
What are the key properties of 3,5-bis(1-methylindol-3-yl)-1,2-oxazole?
3,5-bis(1-methylindol-3-yl)-1,2-oxazole has a molecular weight of 327.39 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-methylindol-3-yl)-1,2-oxazole is sourced from PubChem (CID 46871761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).