ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate

C14H12F3NO4 — CID 67529479

IUPACethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2OC(F)(F)F)noc1C
InChIInChI=1S/C14H12F3NO4/c1-3-20-13(19)11-8(2)22-18-12(11)9-6-4-5-7-10(9)21-14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyHORAUXACOLAOPC-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.73
Rot. Bonds4

About ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate

ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate (PubChem CID 67529479) has the molecular formula C14H12F3NO4 and a molecular weight of 315.25 g/mol. Its IUPAC name is ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
PubChem CID67529479
Molecular FormulaC14H12F3NO4
Molecular Weight315.25 g/mol
Exact Mass315.07
IUPAC Nameethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2OC(F)(F)F)noc1C
InChIInChI=1S/C14H12F3NO4/c1-3-20-13(19)11-8(2)22-18-12(11)9-6-4-5-7-10(9)21-14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyHORAUXACOLAOPC-UHFFFAOYSA-N
XLogP3.73
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate (CID 67529479) is ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccccc2OC(F)(F)F)noc1C.
What is the InChIKey of ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The InChIKey is HORAUXACOLAOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4/c1-3-20-13(19)11-8(2)22-18-12(11)9-6-4-5-7-10(9)21-14(15,16)17/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate has a molecular weight of 315.25 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 67529479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).