4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C23H19Cl2F3N4O2 — CID 25217250

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccnn1C
InChIInChI=1S/C23H19Cl2F3N4O2/c1-13-7-14(3-4-19(13)21(33)29-12-18-5-6-30-32(18)2)20-11-22(34-31-20,23(26,27)28)15-8-16(24)10-17(25)9-15/h3-10H,11-12H2,1-2H3,(H,29,33)
InChIKeyXCKMJWZZPPTIFU-UHFFFAOYSA-N
MW511.33 g/mol
LogP5.55
Rot. Bonds5

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 25217250) has the molecular formula C23H19Cl2F3N4O2 and a molecular weight of 511.33 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID25217250
Molecular FormulaC23H19Cl2F3N4O2
Molecular Weight511.33 g/mol
Exact Mass510.08
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccnn1C
InChIInChI=1S/C23H19Cl2F3N4O2/c1-13-7-14(3-4-19(13)21(33)29-12-18-5-6-30-32(18)2)20-11-22(34-31-20,23(26,27)28)15-8-16(24)10-17(25)9-15/h3-10H,11-12H2,1-2H3,(H,29,33)
InChIKeyXCKMJWZZPPTIFU-UHFFFAOYSA-N
XLogP5.55
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.33
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide 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 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 25217250) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccnn1C.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is XCKMJWZZPPTIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N4O2/c1-13-7-14(3-4-19(13)21(33)29-12-18-5-6-30-32(18)2)20-11-22(34-31-20,23(26,27)28)15-8-16(24)10-17(25)9-15/h3-10H,11-12H2,1-2H3,(H,29,33).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 511.33 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 25217250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).