1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde

C18H12ClN3O3 — CID 150483335

IUPAC1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(-c3noc(=O)[nH]3)cc12
InChIInChI=1S/C18H12ClN3O3/c19-14-4-1-11(2-5-14)8-22-9-13(10-23)15-7-12(3-6-16(15)22)17-20-18(24)25-21-17/h1-7,9-10H,8H2,(H,20,21,24)
InChIKeyHUHFUVGABOEAMG-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.50
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde

1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde (PubChem CID 150483335) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde
PubChem CID150483335
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(-c3noc(=O)[nH]3)cc12
InChIInChI=1S/C18H12ClN3O3/c19-14-4-1-11(2-5-14)8-22-9-13(10-23)15-7-12(3-6-16(15)22)17-20-18(24)25-21-17/h1-7,9-10H,8H2,(H,20,21,24)
InChIKeyHUHFUVGABOEAMG-UHFFFAOYSA-N
XLogP3.50
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)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 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde (CID 150483335) is 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde is O=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(-c3noc(=O)[nH]3)cc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde?
The InChIKey is HUHFUVGABOEAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c19-14-4-1-11(2-5-14)8-22-9-13(10-23)15-7-12(3-6-16(15)22)17-20-18(24)25-21-17/h1-7,9-10H,8H2,(H,20,21,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde?
1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde has a molecular weight of 353.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde is sourced from PubChem (CID 150483335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).