5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one

C10H12F3N3O3 — CID 20560606

IUPAC5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESCCC1C(O)N(c2cc(C(F)(F)F)no2)C(=O)N1C
InChIInChI=1S/C10H12F3N3O3/c1-3-5-8(17)16(9(18)15(5)2)7-4-6(14-19-7)10(11,12)13/h4-5,8,17H,3H2,1-2H3
InChIKeyIIEWIZDXVDHAAS-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.66
Rot. Bonds2

About 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one

5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 20560606) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID20560606
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESCCC1C(O)N(c2cc(C(F)(F)F)no2)C(=O)N1C
InChIInChI=1S/C10H12F3N3O3/c1-3-5-8(17)16(9(18)15(5)2)7-4-6(14-19-7)10(11,12)13/h4-5,8,17H,3H2,1-2H3
InChIKeyIIEWIZDXVDHAAS-UHFFFAOYSA-N
XLogP1.66
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 20560606) is 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is CCC1C(O)N(c2cc(C(F)(F)F)no2)C(=O)N1C.
What is the InChIKey of 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is IIEWIZDXVDHAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-3-5-8(17)16(9(18)15(5)2)7-4-6(14-19-7)10(11,12)13/h4-5,8,17H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 279.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 20560606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).