ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

C16H11F3N2O3S — CID 2745325

IUPACethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)on1
InChIInChI=1S/C16H11F3N2O3S/c1-2-23-15(22)11-7-13(24-21-11)12-8-25-14(20-12)9-3-5-10(6-4-9)16(17,18)19/h3-8H,2H2,1H3
InChIKeyXLOGVUWVMDQJSO-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.66
Rot. Bonds4

About ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (PubChem CID 2745325) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
PubChem CID2745325
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC Nameethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)on1
InChIInChI=1S/C16H11F3N2O3S/c1-2-23-15(22)11-7-13(24-21-11)12-8-25-14(20-12)9-3-5-10(6-4-9)16(17,18)19/h3-8H,2H2,1H3
InChIKeyXLOGVUWVMDQJSO-UHFFFAOYSA-N
XLogP4.66
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (CID 2745325) is ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)on1.
What is the InChIKey of ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is XLOGVUWVMDQJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c1-2-23-15(22)11-7-13(24-21-11)12-8-25-14(20-12)9-3-5-10(6-4-9)16(17,18)19/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 368.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2745325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).