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

C16H23N3O3 — CID 20560769

IUPAC1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C3CCCCC3)on2)C(O)C1C
InChIInChI=1S/C16H23N3O3/c1-3-9-18-11(2)15(20)19(16(18)21)14-10-13(22-17-14)12-7-5-4-6-8-12/h3,10-12,15,20H,1,4-9H2,2H3
InChIKeyRIMLRDYLNISHFZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.86
Rot. Bonds4

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

1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one (PubChem CID 20560769) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one
PubChem CID20560769
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C3CCCCC3)on2)C(O)C1C
InChIInChI=1S/C16H23N3O3/c1-3-9-18-11(2)15(20)19(16(18)21)14-10-13(22-17-14)12-7-5-4-6-8-12/h3,10-12,15,20H,1,4-9H2,2H3
InChIKeyRIMLRDYLNISHFZ-UHFFFAOYSA-N
XLogP2.86
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.86
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 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one (CID 20560769) is 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one is C=CCN1C(=O)N(c2cc(C3CCCCC3)on2)C(O)C1C.
What is the InChIKey of 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one?
The InChIKey is RIMLRDYLNISHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-9-18-11(2)15(20)19(16(18)21)14-10-13(22-17-14)12-7-5-4-6-8-12/h3,10-12,15,20H,1,4-9H2,2H3.
What are the key properties of 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one?
1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 20560769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).