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

C8H7ClF3N3O3 — CID 20560685

IUPAC4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(F)(F)F)no2)C(Cl)C1O
InChIInChI=1S/C8H7ClF3N3O3/c1-14-6(16)5(9)15(7(14)17)4-2-3(13-18-4)8(10,11)12/h2,5-6,16H,1H3
InChIKeyZRFLXQKYKGTOKJ-UHFFFAOYSA-N
MW285.61 g/mol
LogP1.45
Rot. Bonds1

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

4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 20560685) has the molecular formula C8H7ClF3N3O3 and a molecular weight of 285.61 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID20560685
Molecular FormulaC8H7ClF3N3O3
Molecular Weight285.61 g/mol
Exact Mass285.01
IUPAC Name4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(F)(F)F)no2)C(Cl)C1O
InChIInChI=1S/C8H7ClF3N3O3/c1-14-6(16)5(9)15(7(14)17)4-2-3(13-18-4)8(10,11)12/h2,5-6,16H,1H3
InChIKeyZRFLXQKYKGTOKJ-UHFFFAOYSA-N
XLogP1.45
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.61
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 20560685) is 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is CN1C(=O)N(c2cc(C(F)(F)F)no2)C(Cl)C1O.
What is the InChIKey of 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is ZRFLXQKYKGTOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O3/c1-14-6(16)5(9)15(7(14)17)4-2-3(13-18-4)8(10,11)12/h2,5-6,16H,1H3.
What are the key properties of 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 285.61 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 20560685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).