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

C10H12F3NO3 — CID 66643580

IUPACethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CCC(F)(F)F)noc1C
InChIInChI=1S/C10H12F3NO3/c1-3-16-9(15)8-6(2)17-14-7(8)4-5-10(11,12)13/h3-5H2,1-2H3
InChIKeyAMJJOPHLQXUGPU-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.65
Rot. Bonds4

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

ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate (PubChem CID 66643580) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate
PubChem CID66643580
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Nameethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CCC(F)(F)F)noc1C
InChIInChI=1S/C10H12F3NO3/c1-3-16-9(15)8-6(2)17-14-7(8)4-5-10(11,12)13/h3-5H2,1-2H3
InChIKeyAMJJOPHLQXUGPU-UHFFFAOYSA-N
XLogP2.65
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate (CID 66643580) is ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(CCC(F)(F)F)noc1C.
What is the InChIKey of ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate?
The InChIKey is AMJJOPHLQXUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-3-16-9(15)8-6(2)17-14-7(8)4-5-10(11,12)13/h3-5H2,1-2H3.
What are the key properties of ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate has a molecular weight of 251.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 66643580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).