2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde

C20H16N2O3 — CID 22238488

IUPAC2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde
SMILESCOc1cc2[nH]c(Cc3ccccc3)c(C=O)c2cc1-c1cnco1
InChIInChI=1S/C20H16N2O3/c1-24-19-9-18-14(8-15(19)20-10-21-12-25-20)16(11-23)17(22-18)7-13-5-3-2-4-6-13/h2-6,8-12,22H,7H2,1H3
InChIKeyAFDKZOZMJSLGHO-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.23
Rot. Bonds5

About 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde

2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde (PubChem CID 22238488) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde
PubChem CID22238488
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde
SMILESCOc1cc2[nH]c(Cc3ccccc3)c(C=O)c2cc1-c1cnco1
InChIInChI=1S/C20H16N2O3/c1-24-19-9-18-14(8-15(19)20-10-21-12-25-20)16(11-23)17(22-18)7-13-5-3-2-4-6-13/h2-6,8-12,22H,7H2,1H3
InChIKeyAFDKZOZMJSLGHO-UHFFFAOYSA-N
XLogP4.23
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde 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-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde (CID 22238488) is 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde is COc1cc2[nH]c(Cc3ccccc3)c(C=O)c2cc1-c1cnco1.
What is the InChIKey of 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde?
The InChIKey is AFDKZOZMJSLGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-24-19-9-18-14(8-15(19)20-10-21-12-25-20)16(11-23)17(22-18)7-13-5-3-2-4-6-13/h2-6,8-12,22H,7H2,1H3.
What are the key properties of 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde?
2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde has a molecular weight of 332.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 22238488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).