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

C15H8F3N3O4S — CID 142773934

IUPAC3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2nccs2)c1C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8F3N3O4S/c16-15(17,18)8-3-1-7(2-4-8)11(22)20-12-9(14(23)24)10(21-25-12)13-19-5-6-26-13/h1-6H,(H,20,22)(H,23,24)
InChIKeyARRBJILFHKHSJX-UHFFFAOYSA-N
MW383.31 g/mol
LogP3.77
Rot. Bonds4

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

3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid (PubChem CID 142773934) 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-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid
PubChem CID142773934
Molecular FormulaC15H8F3N3O4S
Molecular Weight383.31 g/mol
Exact Mass383.02
IUPAC Name3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2nccs2)c1C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8F3N3O4S/c16-15(17,18)8-3-1-7(2-4-8)11(22)20-12-9(14(23)24)10(21-25-12)13-19-5-6-26-13/h1-6H,(H,20,22)(H,23,24)
InChIKeyARRBJILFHKHSJX-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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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid (CID 142773934) is 3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid is O=C(Nc1onc(-c2nccs2)c1C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid?
The InChIKey is ARRBJILFHKHSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O4S/c16-15(17,18)8-3-1-7(2-4-8)11(22)20-12-9(14(23)24)10(21-25-12)13-19-5-6-26-13/h1-6H,(H,20,22)(H,23,24).
What are the key properties of 3-(1,3-thiazol-2-yl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid?
3-(1,3-thiazol-2-yl)-5-[[4-(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-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).