4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide

C26H22Cl2F3N3O4 — CID 25141526

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C26H22Cl2F3N3O4/c1-37-9-8-32-23(35)14-33-24(36)21-7-6-20(18-4-2-3-5-19(18)21)22-13-25(38-34-22,26(29,30)31)15-10-16(27)12-17(28)11-15/h2-7,10-12H,8-9,13-14H2,1H3,(H,32,35)(H,33,36)
InChIKeyIIEAFEHCVPIIRS-UHFFFAOYSA-N
MW568.38 g/mol
LogP5.22
Rot. Bonds8

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 25141526) has the molecular formula C26H22Cl2F3N3O4 and a molecular weight of 568.38 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID25141526
Molecular FormulaC26H22Cl2F3N3O4
Molecular Weight568.38 g/mol
Exact Mass567.09
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C26H22Cl2F3N3O4/c1-37-9-8-32-23(35)14-33-24(36)21-7-6-20(18-4-2-3-5-19(18)21)22-13-25(38-34-22,26(29,30)31)15-10-16(27)12-17(28)11-15/h2-7,10-12H,8-9,13-14H2,1H3,(H,32,35)(H,33,36)
InChIKeyIIEAFEHCVPIIRS-UHFFFAOYSA-N
XLogP5.22
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.38
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-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 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide (CID 25141526) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide is COCCNC(=O)CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is IIEAFEHCVPIIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2F3N3O4/c1-37-9-8-32-23(35)14-33-24(36)21-7-6-20(18-4-2-3-5-19(18)21)22-13-25(38-34-22,26(29,30)31)15-10-16(27)12-17(28)11-15/h2-7,10-12H,8-9,13-14H2,1H3,(H,32,35)(H,33,36).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 568.38 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 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]-N-[2-(2-methoxyethylamino)-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 25141526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).