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

C21H25N3O3 — CID 20560568

IUPAC5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one
SMILESC=CCC1C(O)N(c2cc(C(C)(C)c3ccccc3)on2)C(=O)N1CC=C
InChIInChI=1S/C21H25N3O3/c1-5-10-16-19(25)24(20(26)23(16)13-6-2)18-14-17(27-22-18)21(3,4)15-11-8-7-9-12-15/h5-9,11-12,14,16,19,25H,1-2,10,13H2,3-4H3
InChIKeyGETQVCFNXHMGHO-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.69
Rot. Bonds7

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

5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one (PubChem CID 20560568) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one
PubChem CID20560568
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one
SMILESC=CCC1C(O)N(c2cc(C(C)(C)c3ccccc3)on2)C(=O)N1CC=C
InChIInChI=1S/C21H25N3O3/c1-5-10-16-19(25)24(20(26)23(16)13-6-2)18-14-17(27-22-18)21(3,4)15-11-8-7-9-12-15/h5-9,11-12,14,16,19,25H,1-2,10,13H2,3-4H3
InChIKeyGETQVCFNXHMGHO-UHFFFAOYSA-N
XLogP3.69
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.69
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 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one?
The IUPAC name of 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one (CID 20560568) is 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one is C=CCC1C(O)N(c2cc(C(C)(C)c3ccccc3)on2)C(=O)N1CC=C.
What is the InChIKey of 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one?
The InChIKey is GETQVCFNXHMGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-10-16-19(25)24(20(26)23(16)13-6-2)18-14-17(27-22-18)21(3,4)15-11-8-7-9-12-15/h5-9,11-12,14,16,19,25H,1-2,10,13H2,3-4H3.
What are the key properties of 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one?
5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3,4-bis(prop-2-enyl)imidazolidin-2-one is sourced from PubChem (CID 20560568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).