5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one

C8H8F3N3O3 — CID 70556311

IUPAC5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESO=C1NCC(CO)N1c1cc(C(F)(F)F)no1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)5-1-6(17-13-5)14-4(3-15)2-12-7(14)16/h1,4,15H,2-3H2,(H,12,16)
InChIKeyHGGYWSCOYNXETB-UHFFFAOYSA-N
MW251.16 g/mol
LogP0.58
Rot. Bonds2

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

5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 70556311) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID70556311
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESO=C1NCC(CO)N1c1cc(C(F)(F)F)no1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)5-1-6(17-13-5)14-4(3-15)2-12-7(14)16/h1,4,15H,2-3H2,(H,12,16)
InChIKeyHGGYWSCOYNXETB-UHFFFAOYSA-N
XLogP0.58
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 70556311) is 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is O=C1NCC(CO)N1c1cc(C(F)(F)F)no1.
What is the InChIKey of 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is HGGYWSCOYNXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)5-1-6(17-13-5)14-4(3-15)2-12-7(14)16/h1,4,15H,2-3H2,(H,12,16).
What are the key properties of 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 251.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 70556311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).