1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione

C11H14ClN3O4 — CID 70499415

IUPAC1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)C(O)N(c2noc(C(C)(C)C)c2Cl)C1=O
InChIInChI=1S/C11H14ClN3O4/c1-11(2,3)6-5(12)7(13-19-6)15-9(17)8(16)14(4)10(15)18/h9,17H,1-4H3
InChIKeyQOMJRHPQDAUPJK-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.34
Rot. Bonds1

About 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione

1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione (PubChem CID 70499415) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione
PubChem CID70499415
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)C(O)N(c2noc(C(C)(C)C)c2Cl)C1=O
InChIInChI=1S/C11H14ClN3O4/c1-11(2,3)6-5(12)7(13-19-6)15-9(17)8(16)14(4)10(15)18/h9,17H,1-4H3
InChIKeyQOMJRHPQDAUPJK-UHFFFAOYSA-N
XLogP1.34
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.34
H-Bond Donors ≤ 51
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-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione (CID 70499415) is 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione is CN1C(=O)C(O)N(c2noc(C(C)(C)C)c2Cl)C1=O.
What is the InChIKey of 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione?
The InChIKey is QOMJRHPQDAUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-11(2,3)6-5(12)7(13-19-6)15-9(17)8(16)14(4)10(15)18/h9,17H,1-4H3.
What are the key properties of 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione?
1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione has a molecular weight of 287.70 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4-chloro-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 70499415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).