ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate

C10H14F3NO3 — CID 163295222

IUPACethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCC.CCOC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C8H8F3NO3.C2H6/c1-3-14-7(13)5-6(8(9,10)11)15-4(2)12-5;1-2/h3H2,1-2H3;1-2H3
InChIKeyARQUXDSBEQGEPI-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.20
Rot. Bonds2

About ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate

ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (PubChem CID 163295222) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
PubChem CID163295222
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Nameethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCC.CCOC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C8H8F3NO3.C2H6/c1-3-14-7(13)5-6(8(9,10)11)15-4(2)12-5;1-2/h3H2,1-2H3;1-2H3
InChIKeyARQUXDSBEQGEPI-UHFFFAOYSA-N
XLogP3.20
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
CID 68802765
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
CID 159620918
ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 122508431
ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate
CID 68802671
ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate
CID 133054703
ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
CID 105481585
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 101389640
ethyl 2-(2,5-dimethyl-1,3-oxazol-4-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 10911923
ethyl 2-ethyl-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
CID 95498234

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (CID 163295222) is ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is CC.CCOC(=O)c1nc(C)oc1C(F)(F)F.
What is the InChIKey of ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is ARQUXDSBEQGEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3.C2H6/c1-3-14-7(13)5-6(8(9,10)11)15-4(2)12-5;1-2/h3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 253.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 163295222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).