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

C14H19N3O3 — CID 20560715

IUPAC4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CC(O)N(c2cc(C(C)(C)C=C)no2)C1=O
InChIInChI=1S/C14H19N3O3/c1-5-7-16-9-11(18)17(13(16)19)12-8-10(15-20-12)14(3,4)6-2/h5-6,8,11,18H,1-2,7,9H2,3-4H3
InChIKeyILJXTSNVLVPTEP-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.88
Rot. Bonds5

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

4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one (PubChem CID 20560715) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one
PubChem CID20560715
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CC(O)N(c2cc(C(C)(C)C=C)no2)C1=O
InChIInChI=1S/C14H19N3O3/c1-5-7-16-9-11(18)17(13(16)19)12-8-10(15-20-12)14(3,4)6-2/h5-6,8,11,18H,1-2,7,9H2,3-4H3
InChIKeyILJXTSNVLVPTEP-UHFFFAOYSA-N
XLogP1.88
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.88
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 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one?
The IUPAC name of 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one (CID 20560715) is 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one is C=CCN1CC(O)N(c2cc(C(C)(C)C=C)no2)C1=O.
What is the InChIKey of 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one?
The InChIKey is ILJXTSNVLVPTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-5-7-16-9-11(18)17(13(16)19)12-8-10(15-20-12)14(3,4)6-2/h5-6,8,11,18H,1-2,7,9H2,3-4H3.
What are the key properties of 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one?
4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]-1-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 20560715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).