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

C22H17Cl3N4O2 — CID 19335620

IUPACN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C22H17Cl3N4O2/c1-12-21(13(2)29(27-12)11-14-5-3-4-6-17(14)24)26-22(30)19-10-20(31-28-19)16-8-7-15(23)9-18(16)25/h3-10H,11H2,1-2H3,(H,26,30)
InChIKeyXGHWZYKBXIFCAG-UHFFFAOYSA-N
MW475.76 g/mol
LogP6.42
Rot. Bonds5

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

N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19335620) has the molecular formula C22H17Cl3N4O2 and a molecular weight of 475.76 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID19335620
Molecular FormulaC22H17Cl3N4O2
Molecular Weight475.76 g/mol
Exact Mass474.04
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C22H17Cl3N4O2/c1-12-21(13(2)29(27-12)11-14-5-3-4-6-17(14)24)26-22(30)19-10-20(31-28-19)16-8-7-15(23)9-18(16)25/h3-10H,11H2,1-2H3,(H,26,30)
InChIKeyXGHWZYKBXIFCAG-UHFFFAOYSA-N
XLogP6.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.76
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 19405914
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088754
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3240435
4-chloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19335656
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4248327
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19335897
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 19412098
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15988695
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19412076
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19335893
1-(2-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17374979
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19412139

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide (CID 19335620) is N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide is Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XGHWZYKBXIFCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N4O2/c1-12-21(13(2)29(27-12)11-14-5-3-4-6-17(14)24)26-22(30)19-10-20(31-28-19)16-8-7-15(23)9-18(16)25/h3-10H,11H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 475.76 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19335620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).