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

C25H20Cl2F3N3O3S — CID 25216902

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCCC(=O)N(Cc1cscn1)C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C25H20Cl2F3N3O3S/c1-3-22(34)33(11-19-12-37-13-31-19)23(35)20-5-4-15(6-14(20)2)21-10-24(36-32-21,25(28,29)30)16-7-17(26)9-18(27)8-16/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyGENVWRKJXFUZIB-UHFFFAOYSA-N
MW570.42 g/mol
LogP6.92
Rot. Bonds6

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

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 25216902) has the molecular formula C25H20Cl2F3N3O3S and a molecular weight of 570.42 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID25216902
Molecular FormulaC25H20Cl2F3N3O3S
Molecular Weight570.42 g/mol
Exact Mass569.06
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCCC(=O)N(Cc1cscn1)C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C25H20Cl2F3N3O3S/c1-3-22(34)33(11-19-12-37-13-31-19)23(35)20-5-4-15(6-14(20)2)21-10-24(36-32-21,25(28,29)30)16-7-17(26)9-18(27)8-16/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyGENVWRKJXFUZIB-UHFFFAOYSA-N
XLogP6.92
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.42
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 25216902) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide is CCC(=O)N(Cc1cscn1)C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is GENVWRKJXFUZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F3N3O3S/c1-3-22(34)33(11-19-12-37-13-31-19)23(35)20-5-4-15(6-14(20)2)21-10-24(36-32-21,25(28,29)30)16-7-17(26)9-18(27)8-16/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 570.42 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-propanoyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 25216902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).