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

C12H19N3O4 — CID 118614402

IUPAC(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one
SMILESCO[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/C12H19N3O4/c1-12(2,3)7-6-8(13-19-7)15-9(16)10(18-5)14(4)11(15)17/h6,9-10,16H,1-5H3/t9?,10-/m1/s1
InChIKeyZFMKRNZPVOJKAJ-QVDQXJPCSA-N
MW269.30 g/mol
LogP1.13
Rot. Bonds2

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

(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one (PubChem CID 118614402) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one
PubChem CID118614402
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one
SMILESCO[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/C12H19N3O4/c1-12(2,3)7-6-8(13-19-7)15-9(16)10(18-5)14(4)11(15)17/h6,9-10,16H,1-5H3/t9?,10-/m1/s1
InChIKeyZFMKRNZPVOJKAJ-QVDQXJPCSA-N
XLogP1.13
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one?
The IUPAC name of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one (CID 118614402) is (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one?
The canonical SMILES for (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one is CO[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)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one?
The InChIKey is ZFMKRNZPVOJKAJ-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,3)7-6-8(13-19-7)15-9(16)10(18-5)14(4)11(15)17/h6,9-10,16H,1-5H3/t9?,10-/m1/s1.
What are the key properties of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one?
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 118614402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).