2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid

C30H22N2O4 — CID 11634262

IUPAC2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2cc(-c3cnc(-c4cn(Cc5ccccc5)c5ccccc45)o3)ccc2c1
InChIInChI=1S/C30H22N2O4/c33-29(34)19-35-24-13-12-21-14-23(11-10-22(21)15-24)28-16-31-30(36-28)26-18-32(17-20-6-2-1-3-7-20)27-9-5-4-8-25(26)27/h1-16,18H,17,19H2,(H,33,34)
InChIKeyOSLWWBUNNDAYLN-UHFFFAOYSA-N
MW474.52 g/mol
LogP6.63
Rot. Bonds7

About 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid

2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid (PubChem CID 11634262) has the molecular formula C30H22N2O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid
PubChem CID11634262
Molecular FormulaC30H22N2O4
Molecular Weight474.52 g/mol
Exact Mass474.16
IUPAC Name2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2cc(-c3cnc(-c4cn(Cc5ccccc5)c5ccccc45)o3)ccc2c1
InChIInChI=1S/C30H22N2O4/c33-29(34)19-35-24-13-12-21-14-23(11-10-22(21)15-24)28-16-31-30(36-28)26-18-32(17-20-6-2-1-3-7-20)27-9-5-4-8-25(26)27/h1-16,18H,17,19H2,(H,33,34)
InChIKeyOSLWWBUNNDAYLN-UHFFFAOYSA-N
XLogP6.63
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid 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 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid (CID 11634262) is 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid is O=C(O)COc1ccc2cc(-c3cnc(-c4cn(Cc5ccccc5)c5ccccc45)o3)ccc2c1.
What is the InChIKey of 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid?
The InChIKey is OSLWWBUNNDAYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O4/c33-29(34)19-35-24-13-12-21-14-23(11-10-22(21)15-24)28-16-31-30(36-28)26-18-32(17-20-6-2-1-3-7-20)27-9-5-4-8-25(26)27/h1-16,18H,17,19H2,(H,33,34).
What are the key properties of 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid?
2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid has a molecular weight of 474.52 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 11634262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).