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

C9H10F3NO3 — CID 23236716

IUPACethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CC)noc1C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c1-3-5-6(8(14)15-4-2)7(16-13-5)9(10,11)12/h3-4H2,1-2H3
InChIKeyKIJQDUQDGUPWDT-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.43
Rot. Bonds3

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

ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate (PubChem CID 23236716) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
PubChem CID23236716
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Nameethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CC)noc1C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c1-3-5-6(8(14)15-4-2)7(16-13-5)9(10,11)12/h3-4H2,1-2H3
InChIKeyKIJQDUQDGUPWDT-UHFFFAOYSA-N
XLogP2.43
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-3-methyl-1,2-oxazole-4-carboxylic acid
CID 3918899
3-Ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-Methyl-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid
CID 4962165
Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
CID 2781473
Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10014880
Ethyl 3-(chloromethyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 10512367
5-methyl-3-propyl-1,2-oxazole-4-carboxylic Acid
CID 2727349
3,5-Diethyl-isoxazole-4-carboxylic acid
CID 2758242
3-Isopropyl-5-methyl-isoxazole-4-carboxylic acid
CID 6484242
Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate
CID 3596327
Ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 3745090
Ethyl 3,5-dimethylisoxazole-4-carboxylate
CID 736348

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate (CID 23236716) is ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(CC)noc1C(F)(F)F.
What is the InChIKey of ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
The InChIKey is KIJQDUQDGUPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-3-5-6(8(14)15-4-2)7(16-13-5)9(10,11)12/h3-4H2,1-2H3.
What are the key properties of ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate has a molecular weight of 237.18 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 23236716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).