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

C12H14F3N3O3 — CID 20560574

IUPAC1-ethyl-4-hydroxy-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)N1CC
InChIInChI=1S/C12H14F3N3O3/c1-3-5-7-10(19)18(11(20)17(7)4-2)9-6-8(16-21-9)12(13,14)15/h3,6-7,10,19H,1,4-5H2,2H3
InChIKeyPCQYOLSOHQMBQY-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.22
Rot. Bonds4

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

1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 20560574) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID20560574
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name1-ethyl-4-hydroxy-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)N1CC
InChIInChI=1S/C12H14F3N3O3/c1-3-5-7-10(19)18(11(20)17(7)4-2)9-6-8(16-21-9)12(13,14)15/h3,6-7,10,19H,1,4-5H2,2H3
InChIKeyPCQYOLSOHQMBQY-UHFFFAOYSA-N
XLogP2.22
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.22
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 1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 20560574) is 1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-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)N1CC.
What is the InChIKey of 1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is PCQYOLSOHQMBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-3-5-7-10(19)18(11(20)17(7)4-2)9-6-8(16-21-9)12(13,14)15/h3,6-7,10,19H,1,4-5H2,2H3.
What are the key properties of 1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 305.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 20560574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).