4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide

C23H18F3N3O4S — CID 162691688

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1
InChIInChI=1S/C23H18F3N3O4S/c1-13-19(14(2)33-29-13)11-31-17-7-5-16(6-8-17)21(30)28-22-27-20(12-34-22)15-3-9-18(10-4-15)32-23(24,25)26/h3-10,12H,11H2,1-2H3,(H,27,28,30)
InChIKeyGBQNUNLOYPBEKE-UHFFFAOYSA-N
MW489.48 g/mol
LogP6.14
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 162691688) has the molecular formula C23H18F3N3O4S and a molecular weight of 489.48 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID162691688
Molecular FormulaC23H18F3N3O4S
Molecular Weight489.48 g/mol
Exact Mass489.10
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1
InChIInChI=1S/C23H18F3N3O4S/c1-13-19(14(2)33-29-13)11-31-17-7-5-16(6-8-17)21(30)28-22-27-20(12-34-22)15-3-9-18(10-4-15)32-23(24,25)26/h3-10,12H,11H2,1-2H3,(H,27,28,30)
InChIKeyGBQNUNLOYPBEKE-UHFFFAOYSA-N
XLogP6.14
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.48
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 2108827
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2102520
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2127619
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649214
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666526
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 3581200
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8511739
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17472229
3-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 17417565
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800713
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7733308
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24686240

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide (CID 162691688) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is GBQNUNLOYPBEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4S/c1-13-19(14(2)33-29-13)11-31-17-7-5-16(6-8-17)21(30)28-22-27-20(12-34-22)15-3-9-18(10-4-15)32-23(24,25)26/h3-10,12H,11H2,1-2H3,(H,27,28,30).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 489.48 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 162691688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).