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

C8H8F3N3O4 — CID 14578139

IUPAC4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(F)(F)F)no2)C(O)C1O
InChIInChI=1S/C8H8F3N3O4/c1-13-5(15)6(16)14(7(13)17)4-2-3(12-18-4)8(9,10)11/h2,5-6,15-16H,1H3
InChIKeyRGMNKBDOTBSTGU-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.20
Rot. Bonds1

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

4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 14578139) has the molecular formula C8H8F3N3O4 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID14578139
Molecular FormulaC8H8F3N3O4
Molecular Weight267.16 g/mol
Exact Mass267.05
IUPAC Name4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(F)(F)F)no2)C(O)C1O
InChIInChI=1S/C8H8F3N3O4/c1-13-5(15)6(16)14(7(13)17)4-2-3(12-18-4)8(9,10)11/h2,5-6,15-16H,1H3
InChIKeyRGMNKBDOTBSTGU-UHFFFAOYSA-N
XLogP0.20
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 14578139) is 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is CN1C(=O)N(c2cc(C(F)(F)F)no2)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is RGMNKBDOTBSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4/c1-13-5(15)6(16)14(7(13)17)4-2-3(12-18-4)8(9,10)11/h2,5-6,15-16H,1H3.
What are the key properties of 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 267.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 14578139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).