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

C10H10F3N3O3 — CID 20560677

IUPAC4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESC=CCN1CC(O)N(c2cc(C(F)(F)F)no2)C1=O
InChIInChI=1S/C10H10F3N3O3/c1-2-3-15-5-7(17)16(9(15)18)8-4-6(14-19-8)10(11,12)13/h2,4,7,17H,1,3,5H2
InChIKeyXWSFELKDWNPNSS-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.44
Rot. Bonds3

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

4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 20560677) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID20560677
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESC=CCN1CC(O)N(c2cc(C(F)(F)F)no2)C1=O
InChIInChI=1S/C10H10F3N3O3/c1-2-3-15-5-7(17)16(9(15)18)8-4-6(14-19-8)10(11,12)13/h2,4,7,17H,1,3,5H2
InChIKeyXWSFELKDWNPNSS-UHFFFAOYSA-N
XLogP1.44
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.44
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-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 20560677) is 4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is C=CCN1CC(O)N(c2cc(C(F)(F)F)no2)C1=O.
What is the InChIKey of 4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is XWSFELKDWNPNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c1-2-3-15-5-7(17)16(9(15)18)8-4-6(14-19-8)10(11,12)13/h2,4,7,17H,1,3,5H2.
What are the key properties of 4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 277.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 20560677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).