3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide

C16H14Cl2N4O2 — CID 2818764

IUPAC3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n(C)n1
InChIInChI=1S/C16H14Cl2N4O2/c1-8-7-12(22(3)20-8)19-16(23)13-9(2)24-21-15(13)14-10(17)5-4-6-11(14)18/h4-7H,1-3H3,(H,19,23)
InChIKeyKYXNDRZEOFZKPW-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.25
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2818764) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2818764
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n(C)n1
InChIInChI=1S/C16H14Cl2N4O2/c1-8-7-12(22(3)20-8)19-16(23)13-9(2)24-21-15(13)14-10(17)5-4-6-11(14)18/h4-7H,1-3H3,(H,19,23)
InChIKeyKYXNDRZEOFZKPW-UHFFFAOYSA-N
XLogP4.25
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide 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-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2818764) is 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n(C)n1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KYXNDRZEOFZKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-8-7-12(22(3)20-8)19-16(23)13-9(2)24-21-15(13)14-10(17)5-4-6-11(14)18/h4-7H,1-3H3,(H,19,23).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 365.22 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2818764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).