ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate

C17H14F3N3O3 — CID 58127502

IUPACethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ncc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C17H14F3N3O3/c1-2-25-16(24)12-7-22-23(9-12)10-15-21-8-14(26-15)11-4-3-5-13(6-11)17(18,19)20/h3-9H,2,10H2,1H3
InChIKeyUNUOLAYWKMUOHV-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.78
Rot. Bonds5

About ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate

ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 58127502) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID58127502
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Nameethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ncc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C17H14F3N3O3/c1-2-25-16(24)12-7-22-23(9-12)10-15-21-8-14(26-15)11-4-3-5-13(6-11)17(18,19)20/h3-9H,2,10H2,1H3
InChIKeyUNUOLAYWKMUOHV-UHFFFAOYSA-N
XLogP3.78
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate (CID 58127502) is ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2ncc(-c3cccc(C(F)(F)F)c3)o2)c1.
What is the InChIKey of ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is UNUOLAYWKMUOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-2-25-16(24)12-7-22-23(9-12)10-15-21-8-14(26-15)11-4-3-5-13(6-11)17(18,19)20/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 365.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 58127502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).