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

C23H22Cl2F3N3O3 — CID 53241297

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC1CCN(C)O1
InChIInChI=1S/C23H22Cl2F3N3O3/c1-13-7-14(3-4-19(13)21(32)29-12-18-5-6-31(2)33-18)20-11-22(34-30-20,23(26,27)28)15-8-16(24)10-17(25)9-15/h3-4,7-10,18H,5-6,11-12H2,1-2H3,(H,29,32)
InChIKeyGLAAWWMRHPYDSE-UHFFFAOYSA-N
MW516.35 g/mol
LogP5.25
Rot. Bonds5

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

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide (PubChem CID 53241297) has the molecular formula C23H22Cl2F3N3O3 and a molecular weight of 516.35 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide
PubChem CID53241297
Molecular FormulaC23H22Cl2F3N3O3
Molecular Weight516.35 g/mol
Exact Mass515.10
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC1CCN(C)O1
InChIInChI=1S/C23H22Cl2F3N3O3/c1-13-7-14(3-4-19(13)21(32)29-12-18-5-6-31(2)33-18)20-11-22(34-30-20,23(26,27)28)15-8-16(24)10-17(25)9-15/h3-4,7-10,18H,5-6,11-12H2,1-2H3,(H,29,32)
InChIKeyGLAAWWMRHPYDSE-UHFFFAOYSA-N
XLogP5.25
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.35
LogP ≤ 55.25
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-methyl-1,2-oxazolidin-5-yl)methyl]benzamide with MolForge

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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-methyl-1,2-oxazolidin-5-yl)methyl]benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide (CID 53241297) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-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-methyl-1,2-oxazolidin-5-yl)methyl]benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC1CCN(C)O1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide?
The InChIKey is GLAAWWMRHPYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F3N3O3/c1-13-7-14(3-4-19(13)21(32)29-12-18-5-6-31(2)33-18)20-11-22(34-30-20,23(26,27)28)15-8-16(24)10-17(25)9-15/h3-4,7-10,18H,5-6,11-12H2,1-2H3,(H,29,32).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]benzamide has a molecular weight of 516.35 g/mol, XLogP of 5.25, 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-methyl-1,2-oxazolidin-5-yl)methyl]benzamide is sourced from PubChem (CID 53241297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).