4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one

C20H25N3O3 — CID 20560538

IUPAC4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one
SMILESC=CCC1C(O)N(c2cc(C(CCC)c3ccccc3)on2)C(=O)N1C
InChIInChI=1S/C20H25N3O3/c1-4-9-15(14-11-7-6-8-12-14)17-13-18(21-26-17)23-19(24)16(10-5-2)22(3)20(23)25/h5-8,11-13,15-16,19,24H,2,4,9-10H2,1,3H3
InChIKeyMXPGTUAAJSYFPA-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.74
Rot. Bonds7

About 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one

4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one (PubChem CID 20560538) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one
PubChem CID20560538
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one
SMILESC=CCC1C(O)N(c2cc(C(CCC)c3ccccc3)on2)C(=O)N1C
InChIInChI=1S/C20H25N3O3/c1-4-9-15(14-11-7-6-8-12-14)17-13-18(21-26-17)23-19(24)16(10-5-2)22(3)20(23)25/h5-8,11-13,15-16,19,24H,2,4,9-10H2,1,3H3
InChIKeyMXPGTUAAJSYFPA-UHFFFAOYSA-N
XLogP3.74
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-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-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one (CID 20560538) is 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one is C=CCC1C(O)N(c2cc(C(CCC)c3ccccc3)on2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one?
The InChIKey is MXPGTUAAJSYFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-9-15(14-11-7-6-8-12-14)17-13-18(21-26-17)23-19(24)16(10-5-2)22(3)20(23)25/h5-8,11-13,15-16,19,24H,2,4,9-10H2,1,3H3.
What are the key properties of 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one?
4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one has a molecular weight of 355.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[5-(1-phenylbutyl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 20560538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).