1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one

C11H17N3O4 — CID 12918841

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(C)(C)C)on2)C(O)C1O
InChIInChI=1S/C11H17N3O4/c1-11(2,3)6-5-7(12-18-6)14-9(16)8(15)13(4)10(14)17/h5,8-9,15-16H,1-4H3
InChIKeyXAEAEFQXDBCTPL-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.48
Rot. Bonds1

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one (PubChem CID 12918841) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one
PubChem CID12918841
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(C)(C)C)on2)C(O)C1O
InChIInChI=1S/C11H17N3O4/c1-11(2,3)6-5-7(12-18-6)14-9(16)8(15)13(4)10(14)17/h5,8-9,15-16H,1-4H3
InChIKeyXAEAEFQXDBCTPL-UHFFFAOYSA-N
XLogP0.48
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one (CID 12918841) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one is CN1C(=O)N(c2cc(C(C)(C)C)on2)C(O)C1O.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one?
The InChIKey is XAEAEFQXDBCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,3)6-5-7(12-18-6)14-9(16)8(15)13(4)10(14)17/h5,8-9,15-16H,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one has a molecular weight of 255.27 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-dihydroxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 12918841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).