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

C12H17N3O3 — CID 20560672

IUPAC4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESC=CC(C)(C)c1cc(N2C(=O)N(C)CC2O)on1
InChIInChI=1S/C12H17N3O3/c1-5-12(2,3)8-6-10(18-13-8)15-9(16)7-14(4)11(15)17/h5-6,9,16H,1,7H2,2-4H3
InChIKeyHDUVLSLOPAVCGY-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.33
Rot. Bonds3

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

4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one (PubChem CID 20560672) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one
PubChem CID20560672
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one
SMILESC=CC(C)(C)c1cc(N2C(=O)N(C)CC2O)on1
InChIInChI=1S/C12H17N3O3/c1-5-12(2,3)8-6-10(18-13-8)15-9(16)7-14(4)11(15)17/h5-6,9,16H,1,7H2,2-4H3
InChIKeyHDUVLSLOPAVCGY-UHFFFAOYSA-N
XLogP1.33
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.33
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-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one (CID 20560672) is 4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one is C=CC(C)(C)c1cc(N2C(=O)N(C)CC2O)on1.
What is the InChIKey of 4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one?
The InChIKey is HDUVLSLOPAVCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-5-12(2,3)8-6-10(18-13-8)15-9(16)7-14(4)11(15)17/h5-6,9,16H,1,7H2,2-4H3.
What are the key properties of 4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one?
4-hydroxy-1-methyl-3-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 1.33, 3 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-[3-(2-methylbut-3-en-2-yl)-1,2-oxazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 20560672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).