ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate

C13H11F3N2O3 — CID 134588386

IUPACethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C(F)(F)F)nc2)noc1C
InChIInChI=1S/C13H11F3N2O3/c1-3-20-12(19)10-7(2)21-18-11(10)8-4-5-9(17-6-8)13(14,15)16/h4-6H,3H2,1-2H3
InChIKeyMNIVZDZTKLMKKN-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.24
Rot. Bonds3

About ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate

ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate (PubChem CID 134588386) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate
PubChem CID134588386
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Nameethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C(F)(F)F)nc2)noc1C
InChIInChI=1S/C13H11F3N2O3/c1-3-20-12(19)10-7(2)21-18-11(10)8-4-5-9(17-6-8)13(14,15)16/h4-6H,3H2,1-2H3
InChIKeyMNIVZDZTKLMKKN-UHFFFAOYSA-N
XLogP3.24
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134588402
ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate
CID 146272918
ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate
CID 134588302
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486610
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
CID 10065337
ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
CID 102309200
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate
CID 59145411
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614298

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate (CID 134588386) is ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccc(C(F)(F)F)nc2)noc1C.
What is the InChIKey of ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate?
The InChIKey is MNIVZDZTKLMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-3-20-12(19)10-7(2)21-18-11(10)8-4-5-9(17-6-8)13(14,15)16/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate has a molecular weight of 300.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 134588386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).