ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C20H18F3N3O5S — CID 84564034

IUPACethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)nc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O5S/c1-4-29-18(28)15-16(20(21,22)23)24-19(32-15)25-17(27)12-5-7-13(8-6-12)30-9-14-10(2)26-31-11(14)3/h5-8H,4,9H2,1-3H3,(H,24,25,27)
InChIKeyMLJCQLUWDLFFCE-UHFFFAOYSA-N
MW469.44 g/mol
LogP4.77
Rot. Bonds7

About ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 84564034) has the molecular formula C20H18F3N3O5S and a molecular weight of 469.44 g/mol. Its IUPAC name is ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID84564034
Molecular FormulaC20H18F3N3O5S
Molecular Weight469.44 g/mol
Exact Mass469.09
IUPAC Nameethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)nc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O5S/c1-4-29-18(28)15-16(20(21,22)23)24-19(32-15)25-17(27)12-5-7-13(8-6-12)30-9-14-10(2)26-31-11(14)3/h5-8H,4,9H2,1-3H3,(H,24,25,27)
InChIKeyMLJCQLUWDLFFCE-UHFFFAOYSA-N
XLogP4.77
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84562338
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 162691673
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 162691696
N-tert-butyl-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 46539748
ethyl 2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560961
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30102866
ethyl 2-(3-methylbutanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84561176
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide
CID 110495682
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
CID 2466288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 84564034) is ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is MLJCQLUWDLFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O5S/c1-4-29-18(28)15-16(20(21,22)23)24-19(32-15)25-17(27)12-5-7-13(8-6-12)30-9-14-10(2)26-31-11(14)3/h5-8H,4,9H2,1-3H3,(H,24,25,27).
What are the key properties of ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 469.44 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 84564034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).