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

C19H23N3O3 — CID 20560627

IUPAC5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C(CC)c3ccccc3)on2)C(O)C1C
InChIInChI=1S/C19H23N3O3/c1-4-11-21-13(3)18(23)22(19(21)24)17-12-16(25-20-17)15(5-2)14-9-7-6-8-10-14/h4,6-10,12-13,15,18,23H,1,5,11H2,2-3H3
InChIKeyCEKKNTQFHIEGKE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.35
Rot. Bonds6

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

5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one (PubChem CID 20560627) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one
PubChem CID20560627
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C(CC)c3ccccc3)on2)C(O)C1C
InChIInChI=1S/C19H23N3O3/c1-4-11-21-13(3)18(23)22(19(21)24)17-12-16(25-20-17)15(5-2)14-9-7-6-8-10-14/h4,6-10,12-13,15,18,23H,1,5,11H2,2-3H3
InChIKeyCEKKNTQFHIEGKE-UHFFFAOYSA-N
XLogP3.35
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.35
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-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one (CID 20560627) is 5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one is C=CCN1C(=O)N(c2cc(C(CC)c3ccccc3)on2)C(O)C1C.
What is the InChIKey of 5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one?
The InChIKey is CEKKNTQFHIEGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-11-21-13(3)18(23)22(19(21)24)17-12-16(25-20-17)15(5-2)14-9-7-6-8-10-14/h4,6-10,12-13,15,18,23H,1,5,11H2,2-3H3.
What are the key properties of 5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one?
5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-1-[5-(1-phenylpropyl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 20560627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).