3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid

C15H8F3N3O4S — CID 142773911

IUPAC3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2nccs2)c1C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8F3N3O4S/c16-15(17,18)8-3-1-2-7(6-8)11(22)20-12-9(14(23)24)10(21-25-12)13-19-4-5-26-13/h1-6H,(H,20,22)(H,23,24)
InChIKeyKYADOCYAYQNPMZ-UHFFFAOYSA-N
MW383.31 g/mol
LogP3.77
Rot. Bonds4

About 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid

3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid (PubChem CID 142773911) has the molecular formula C15H8F3N3O4S and a molecular weight of 383.31 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid
PubChem CID142773911
Molecular FormulaC15H8F3N3O4S
Molecular Weight383.31 g/mol
Exact Mass383.02
IUPAC Name3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2nccs2)c1C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8F3N3O4S/c16-15(17,18)8-3-1-2-7(6-8)11(22)20-12-9(14(23)24)10(21-25-12)13-19-4-5-26-13/h1-6H,(H,20,22)(H,23,24)
InChIKeyKYADOCYAYQNPMZ-UHFFFAOYSA-N
XLogP3.77
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-4-nitro-1,2-oxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 2820278
N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2376546
5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773841
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474861
2-[5-[(2-methylbenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzoic acid
CID 174473888
5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 142774002
N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide
CID 42607018
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 3307748
3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid (CID 142773911) is 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid is O=C(Nc1onc(-c2nccs2)c1C(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid?
The InChIKey is KYADOCYAYQNPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O4S/c16-15(17,18)8-3-1-2-7(6-8)11(22)20-12-9(14(23)24)10(21-25-12)13-19-4-5-26-13/h1-6H,(H,20,22)(H,23,24).
What are the key properties of 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid?
3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid has a molecular weight of 383.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).