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

C11H12F3N3O3 — CID 20560775

IUPAC4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESC=CCC1C(O)N(c2cc(C(F)(F)F)no2)C(=O)N1C
InChIInChI=1S/C11H12F3N3O3/c1-3-4-6-9(18)17(10(19)16(6)2)8-5-7(15-20-8)11(12,13)14/h3,5-6,9,18H,1,4H2,2H3
InChIKeyJZGSCXZWRBLGPS-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.83
Rot. Bonds3

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

4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 20560775) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID20560775
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESC=CCC1C(O)N(c2cc(C(F)(F)F)no2)C(=O)N1C
InChIInChI=1S/C11H12F3N3O3/c1-3-4-6-9(18)17(10(19)16(6)2)8-5-7(15-20-8)11(12,13)14/h3,5-6,9,18H,1,4H2,2H3
InChIKeyJZGSCXZWRBLGPS-UHFFFAOYSA-N
XLogP1.83
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 20560775) is 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is C=CCC1C(O)N(c2cc(C(F)(F)F)no2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is JZGSCXZWRBLGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-3-4-6-9(18)17(10(19)16(6)2)8-5-7(15-20-8)11(12,13)14/h3,5-6,9,18H,1,4H2,2H3.
What are the key properties of 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 291.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 20560775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).