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

C13H14F3N3O3 — CID 20560703

IUPAC4-hydroxy-1,5-bis(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=C
InChIInChI=1S/C13H14F3N3O3/c1-3-5-8-11(20)19(12(21)18(8)6-4-2)10-7-9(17-22-10)13(14,15)16/h3-4,7-8,11,20H,1-2,5-6H2
InChIKeyNVCSCPXYWGCWCR-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.38
Rot. Bonds5

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

4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 20560703) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID20560703
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name4-hydroxy-1,5-bis(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=C
InChIInChI=1S/C13H14F3N3O3/c1-3-5-8-11(20)19(12(21)18(8)6-4-2)10-7-9(17-22-10)13(14,15)16/h3-4,7-8,11,20H,1-2,5-6H2
InChIKeyNVCSCPXYWGCWCR-UHFFFAOYSA-N
XLogP2.38
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1,5-bis(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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 20560703) is 4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1,5-bis(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=C.
What is the InChIKey of 4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is NVCSCPXYWGCWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-3-5-8-11(20)19(12(21)18(8)6-4-2)10-7-9(17-22-10)13(14,15)16/h3-4,7-8,11,20H,1-2,5-6H2.
What are the key properties of 4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one?
4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 317.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,5-bis(prop-2-enyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 20560703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).