ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate

C15H19F3N2O4 — CID 18800710

IUPACethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(CCCC2N=C(OC)CC2C(F)(F)F)n1
InChIInChI=1S/C15H19F3N2O4/c1-3-23-14(21)11-8-24-12(20-11)6-4-5-10-9(15(16,17)18)7-13(19-10)22-2/h8-10H,3-7H2,1-2H3
InChIKeySDYSIZLOXRINRK-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.17
Rot. Bonds6

About ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate

ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate (PubChem CID 18800710) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate
PubChem CID18800710
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Nameethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(CCCC2N=C(OC)CC2C(F)(F)F)n1
InChIInChI=1S/C15H19F3N2O4/c1-3-23-14(21)11-8-24-12(20-11)6-4-5-10-9(15(16,17)18)7-13(19-10)22-2/h8-10H,3-7H2,1-2H3
InChIKeySDYSIZLOXRINRK-UHFFFAOYSA-N
XLogP3.17
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate (CID 18800710) is ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(CCCC2N=C(OC)CC2C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate?
The InChIKey is SDYSIZLOXRINRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-3-23-14(21)11-8-24-12(20-11)6-4-5-10-9(15(16,17)18)7-13(19-10)22-2/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate has a molecular weight of 348.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-2-yl]propyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 18800710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).