2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

C22H18Cl2N4O2 — CID 56659661

IUPAC2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H18Cl2N4O2/c1-14-17(22(27-30-14)21-18(23)4-2-5-19(21)24)12-20(29)25-13-15-6-8-16(9-7-15)28-11-3-10-26-28/h2-11H,12-13H2,1H3,(H,25,29)
InChIKeyVXMWDJDJGPLVJE-UHFFFAOYSA-N
MW441.32 g/mol
LogP5.00
Rot. Bonds6

About 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 56659661) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID56659661
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H18Cl2N4O2/c1-14-17(22(27-30-14)21-18(23)4-2-5-19(21)24)12-20(29)25-13-15-6-8-16(9-7-15)28-11-3-10-26-28/h2-11H,12-13H2,1H3,(H,25,29)
InChIKeyVXMWDJDJGPLVJE-UHFFFAOYSA-N
XLogP5.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (CID 56659661) is 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is Cc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is VXMWDJDJGPLVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-14-17(22(27-30-14)21-18(23)4-2-5-19(21)24)12-20(29)25-13-15-6-8-16(9-7-15)28-11-3-10-26-28/h2-11H,12-13H2,1H3,(H,25,29).
What are the key properties of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 441.32 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 56659661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).