2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide

C19H14Cl3F3N2O2 — CID 25182662

IUPAC2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide
SMILESO=C(CCl)NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H14Cl3F3N2O2/c20-9-17(28)26-10-11-1-3-12(4-2-11)16-8-18(29-27-16,19(23,24)25)13-5-14(21)7-15(22)6-13/h1-7H,8-10H2,(H,26,28)
InChIKeyULUNJRLKQROLOO-UHFFFAOYSA-N
MW465.69 g/mol
LogP5.43
Rot. Bonds5

About 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide

2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide (PubChem CID 25182662) has the molecular formula C19H14Cl3F3N2O2 and a molecular weight of 465.69 g/mol. Its IUPAC name is 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide
PubChem CID25182662
Molecular FormulaC19H14Cl3F3N2O2
Molecular Weight465.69 g/mol
Exact Mass464.01
IUPAC Name2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide
SMILESO=C(CCl)NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H14Cl3F3N2O2/c20-9-17(28)26-10-11-1-3-12(4-2-11)16-8-18(29-27-16,19(23,24)25)13-5-14(21)7-15(22)6-13/h1-7H,8-10H2,(H,26,28)
InChIKeyULUNJRLKQROLOO-UHFFFAOYSA-N
XLogP5.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.69
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide 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 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide (CID 25182662) is 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide is O=C(CCl)NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1.
What is the InChIKey of 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The InChIKey is ULUNJRLKQROLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3F3N2O2/c20-9-17(28)26-10-11-1-3-12(4-2-11)16-8-18(29-27-16,19(23,24)25)13-5-14(21)7-15(22)6-13/h1-7H,8-10H2,(H,26,28).
What are the key properties of 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide has a molecular weight of 465.69 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 25182662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).