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

C10H9BrF3N3O3 — CID 20560561

IUPAC4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C(F)(F)F)no2)C(Br)C1O
InChIInChI=1S/C10H9BrF3N3O3/c1-2-3-16-8(18)7(11)17(9(16)19)6-4-5(15-20-6)10(12,13)14/h2,4,7-8,18H,1,3H2
InChIKeyNOJJCEQUYIDORF-UHFFFAOYSA-N
MW356.10 g/mol
LogP2.16
Rot. Bonds3

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

4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 20560561) has the molecular formula C10H9BrF3N3O3 and a molecular weight of 356.10 g/mol. Its IUPAC name is 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID20560561
Molecular FormulaC10H9BrF3N3O3
Molecular Weight356.10 g/mol
Exact Mass354.98
IUPAC Name4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C(F)(F)F)no2)C(Br)C1O
InChIInChI=1S/C10H9BrF3N3O3/c1-2-3-16-8(18)7(11)17(9(16)19)6-4-5(15-20-6)10(12,13)14/h2,4,7-8,18H,1,3H2
InChIKeyNOJJCEQUYIDORF-UHFFFAOYSA-N
XLogP2.16
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 14578123
4,5-Dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 14578139
4,5-Dihydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one;prop-1-en-2-olate
CID 20476511
4,5-Dihydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20476539
1-Ethyl-4-hydroxy-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560574
4-Bromo-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560590
5-Ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560606
4-Hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560677
4-Chloro-5-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560685
4-Hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560703
4-Hydroxy-1,5-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560764
4-Hydroxy-1-methyl-5-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560775

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 20560561) is 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is C=CCN1C(=O)N(c2cc(C(F)(F)F)no2)C(Br)C1O.
What is the InChIKey of 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is NOJJCEQUYIDORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O3/c1-2-3-16-8(18)7(11)17(9(16)19)6-4-5(15-20-6)10(12,13)14/h2,4,7-8,18H,1,3H2.
What are the key properties of 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 356.10 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 20560561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).