(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one

C26H42N6O8 — CID 162201840

IUPAC(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
SMILESCCO[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.CCO[C@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/2C13H21N3O4/c2*1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4/h2*7,10-11,17H,6H2,1-5H3/t2*10?,11-/m10/s1
InChIKeyZRROGMWYYHRLMG-URIZOGIISA-N
MW566.66 g/mol
LogP3.05
Rot. Bonds6

About (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one

(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one (PubChem CID 162201840) has the molecular formula C26H42N6O8 and a molecular weight of 566.66 g/mol. Its IUPAC name is (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
PubChem CID162201840
Molecular FormulaC26H42N6O8
Molecular Weight566.66 g/mol
Exact Mass566.31
IUPAC Name(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
SMILESCCO[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.CCO[C@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/2C13H21N3O4/c2*1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4/h2*7,10-11,17H,6H2,1-5H3/t2*10?,11-/m10/s1
InChIKeyZRROGMWYYHRLMG-URIZOGIISA-N
XLogP3.05
TPSA158.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
The IUPAC name of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one (CID 162201840) is (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
The canonical SMILES for (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one is CCO[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.CCO[C@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.
What is the InChIKey of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
The InChIKey is ZRROGMWYYHRLMG-URIZOGIISA-N. The full InChI is InChI=1S/2C13H21N3O4/c2*1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4/h2*7,10-11,17H,6H2,1-5H3/t2*10?,11-/m10/s1.
What are the key properties of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one has a molecular weight of 566.66 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 162201840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).