1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione

C10H13N3O4 — CID 70491766

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione
SMILESCC(C)(C)c1cc(N2C(=O)NC(=O)C2O)on1
InChIInChI=1S/C10H13N3O4/c1-10(2,3)5-4-6(17-12-5)13-8(15)7(14)11-9(13)16/h4,8,15H,1-3H3,(H,11,14,16)
InChIKeyVIBYMANVMVIZNQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.35
Rot. Bonds1

About 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione

1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione (PubChem CID 70491766) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione
PubChem CID70491766
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione
SMILESCC(C)(C)c1cc(N2C(=O)NC(=O)C2O)on1
InChIInChI=1S/C10H13N3O4/c1-10(2,3)5-4-6(17-12-5)13-8(15)7(14)11-9(13)16/h4,8,15H,1-3H3,(H,11,14,16)
InChIKeyVIBYMANVMVIZNQ-UHFFFAOYSA-N
XLogP0.35
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione (CID 70491766) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione is CC(C)(C)c1cc(N2C(=O)NC(=O)C2O)on1.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione?
The InChIKey is VIBYMANVMVIZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(2,3)5-4-6(17-12-5)13-8(15)7(14)11-9(13)16/h4,8,15H,1-3H3,(H,11,14,16).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione?
1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione has a molecular weight of 239.23 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione is sourced from PubChem (CID 70491766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).