4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one

C18H21N3O4 — CID 20560622

IUPAC4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C(C)(C)c3ccccc3)on2)C(O)C1O
InChIInChI=1S/C18H21N3O4/c1-4-10-20-15(22)16(23)21(17(20)24)14-11-13(25-19-14)18(2,3)12-8-6-5-7-9-12/h4-9,11,15-16,22-23H,1,10H2,2-3H3
InChIKeyMIKCYQIWHYAPCC-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.07
Rot. Bonds5

About 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one

4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one (PubChem CID 20560622) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one
PubChem CID20560622
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C(C)(C)c3ccccc3)on2)C(O)C1O
InChIInChI=1S/C18H21N3O4/c1-4-10-20-15(22)16(23)21(17(20)24)14-11-13(25-19-14)18(2,3)12-8-6-5-7-9-12/h4-9,11,15-16,22-23H,1,10H2,2-3H3
InChIKeyMIKCYQIWHYAPCC-UHFFFAOYSA-N
XLogP2.07
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one (CID 20560622) is 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one is C=CCN1C(=O)N(c2cc(C(C)(C)c3ccccc3)on2)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one?
The InChIKey is MIKCYQIWHYAPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-10-20-15(22)16(23)21(17(20)24)14-11-13(25-19-14)18(2,3)12-8-6-5-7-9-12/h4-9,11,15-16,22-23H,1,10H2,2-3H3.
What are the key properties of 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one?
4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one has a molecular weight of 343.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-[5-(2-phenylpropan-2-yl)-1,2-oxazol-3-yl]-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 20560622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).