3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole

C19H12Cl2N2O — CID 127041853

IUPAC3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c(Cl)c1
InChIInChI=1S/C19H12Cl2N2O/c20-14-5-8-16(17(21)11-14)18-12-19(24-22-18)13-3-6-15(7-4-13)23-9-1-2-10-23/h1-12H
InChIKeyOWINAFVXIAXWCK-UHFFFAOYSA-N
MW355.22 g/mol
LogP6.11
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole

3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole (PubChem CID 127041853) has the molecular formula C19H12Cl2N2O and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
PubChem CID127041853
Molecular FormulaC19H12Cl2N2O
Molecular Weight355.22 g/mol
Exact Mass354.03
IUPAC Name3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c(Cl)c1
InChIInChI=1S/C19H12Cl2N2O/c20-14-5-8-16(17(21)11-14)18-12-19(24-22-18)13-3-6-15(7-4-13)23-9-1-2-10-23/h1-12H
InChIKeyOWINAFVXIAXWCK-UHFFFAOYSA-N
XLogP6.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-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-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole (CID 127041853) is 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole is Clc1ccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c(Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The InChIKey is OWINAFVXIAXWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O/c20-14-5-8-16(17(21)11-14)18-12-19(24-22-18)13-3-6-15(7-4-13)23-9-1-2-10-23/h1-12H.
What are the key properties of 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole has a molecular weight of 355.22 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole is sourced from PubChem (CID 127041853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).