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

C8H8F3N3O3 — CID 14578030

IUPAC4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(F)(F)F)on2)C1=O
InChIInChI=1S/C8H8F3N3O3/c1-13-3-6(15)14(7(13)16)5-2-4(17-12-5)8(9,10)11/h2,6,15H,3H2,1H3
InChIKeyPTIZUHHUCICVCT-UHFFFAOYSA-N
MW251.16 g/mol
LogP0.88
Rot. Bonds1

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

4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one (PubChem CID 14578030) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one
PubChem CID14578030
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(F)(F)F)on2)C1=O
InChIInChI=1S/C8H8F3N3O3/c1-13-3-6(15)14(7(13)16)5-2-4(17-12-5)8(9,10)11/h2,6,15H,3H2,1H3
InChIKeyPTIZUHHUCICVCT-UHFFFAOYSA-N
XLogP0.88
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one (CID 14578030) is 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one is CN1CC(O)N(c2cc(C(F)(F)F)on2)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The InChIKey is PTIZUHHUCICVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-13-3-6(15)14(7(13)16)5-2-4(17-12-5)8(9,10)11/h2,6,15H,3H2,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one?
4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one has a molecular weight of 251.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 14578030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).