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

C8H8F3NO3 — CID 103199474

IUPACethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C)nc1C(F)(F)F
InChIInChI=1S/C8H8F3NO3/c1-3-14-7(13)5-6(8(9,10)11)12-4(2)15-5/h3H2,1-2H3
InChIKeyPZGPNTCLOULSQT-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.18
Rot. Bonds2

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

ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 103199474) has the molecular formula C8H8F3NO3 and a molecular weight of 223.15 g/mol. Its IUPAC name is ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID103199474
Molecular FormulaC8H8F3NO3
Molecular Weight223.15 g/mol
Exact Mass223.05
IUPAC Nameethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C)nc1C(F)(F)F
InChIInChI=1S/C8H8F3NO3/c1-3-14-7(13)5-6(8(9,10)11)12-4(2)15-5/h3H2,1-2H3
InChIKeyPZGPNTCLOULSQT-UHFFFAOYSA-N
XLogP2.18
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 103199474) is ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is PZGPNTCLOULSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3/c1-3-14-7(13)5-6(8(9,10)11)12-4(2)15-5/h3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 223.15 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).