3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline

C17H14Cl2N2O2 — CID 86845217

IUPAC3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline
SMILESCOc1c(Cl)cccc1NCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H14Cl2N2O2/c1-22-17-13(19)3-2-4-14(17)20-10-16-21-9-15(23-16)11-5-7-12(18)8-6-11/h2-9,20H,10H2,1H3
InChIKeyGGDHMYQKURPOLA-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.27
Rot. Bonds5

About 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline

3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline (PubChem CID 86845217) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline
PubChem CID86845217
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline
SMILESCOc1c(Cl)cccc1NCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H14Cl2N2O2/c1-22-17-13(19)3-2-4-14(17)20-10-16-21-9-15(23-16)11-5-7-12(18)8-6-11/h2-9,20H,10H2,1H3
InChIKeyGGDHMYQKURPOLA-UHFFFAOYSA-N
XLogP5.27
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline 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-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline?
The IUPAC name of 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline (CID 86845217) is 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline?
The canonical SMILES for 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline is COc1c(Cl)cccc1NCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline?
The InChIKey is GGDHMYQKURPOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-22-17-13(19)3-2-4-14(17)20-10-16-21-9-15(23-16)11-5-7-12(18)8-6-11/h2-9,20H,10H2,1H3.
What are the key properties of 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline?
3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline has a molecular weight of 349.22 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline is sourced from PubChem (CID 86845217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).