4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide

C24H19Cl2F3N4O2 — CID 66785191

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
SMILESCNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccccn1
InChIInChI=1S/C24H19Cl2F3N4O2/c1-30-20-8-14(5-6-19(20)22(34)32-13-18-4-2-3-7-31-18)21-12-23(35-33-21,24(27,28)29)15-9-16(25)11-17(26)10-15/h2-11,30H,12-13H2,1H3,(H,32,34)
InChIKeyHFVMOABEYHEXFE-UHFFFAOYSA-N
MW523.34 g/mol
LogP5.94
Rot. Bonds6

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 66785191) has the molecular formula C24H19Cl2F3N4O2 and a molecular weight of 523.34 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID66785191
Molecular FormulaC24H19Cl2F3N4O2
Molecular Weight523.34 g/mol
Exact Mass522.08
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
SMILESCNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccccn1
InChIInChI=1S/C24H19Cl2F3N4O2/c1-30-20-8-14(5-6-19(20)22(34)32-13-18-4-2-3-7-31-18)21-12-23(35-33-21,24(27,28)29)15-9-16(25)11-17(26)10-15/h2-11,30H,12-13H2,1H3,(H,32,34)
InChIKeyHFVMOABEYHEXFE-UHFFFAOYSA-N
XLogP5.94
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.34
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-2-carboxamide
CID 59355597
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 25217250
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylnaphthalene-1-carboxamide
CID 146491854
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]benzamide
CID 59355612
methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-phenylbenzoate
CID 66785131
methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 59563501
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 90715112
ethane;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 143943224
2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3-methyl-2,4-dioxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 154628669
1-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylanilino]butan-2-one
CID 58533521
methyl 2-(bromomethyl)-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoate
CID 87247213
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(thietan-3-yl)benzamide
CID 53355387

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide (CID 66785191) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide is CNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccccn1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HFVMOABEYHEXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N4O2/c1-30-20-8-14(5-6-19(20)22(34)32-13-18-4-2-3-7-31-18)21-12-23(35-33-21,24(27,28)29)15-9-16(25)11-17(26)10-15/h2-11,30H,12-13H2,1H3,(H,32,34).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 523.34 g/mol, XLogP of 5.94, 6 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]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 66785191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).