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

C13H21N3O4 — CID 118613741

IUPAC(4R)-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
InChIInChI=1S/C13H21N3O4/c1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4/h7,10-11,17H,6H2,1-5H3/t10?,11-/m1/s1
InChIKeyWBDLZWMPSRTAJU-RRKGBCIJSA-N
MW283.33 g/mol
LogP1.52
Rot. Bonds3

About (4R)-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 (PubChem CID 118613741) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4R)-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
PubChem CID118613741
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(4R)-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
InChIInChI=1S/C13H21N3O4/c1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4/h7,10-11,17H,6H2,1-5H3/t10?,11-/m1/s1
InChIKeyWBDLZWMPSRTAJU-RRKGBCIJSA-N
XLogP1.52
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one
CID 118614402
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethyl-5-hydroxy-3-methylimidazolidin-2-one
CID 146547637
1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 118608841
1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one
CID 70566857
1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one
CID 147309957
(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 135130164
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 121324923
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;1,4-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methanol;1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 161035746
4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
CID 20560734
4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
CID 20560773
1-benzyl-3-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxy-5-methylimidazolidin-2-one
CID 121324680

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?
The IUPAC name of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one (CID 118613741) is (4R)-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?
The canonical SMILES for (4R)-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.
What is the InChIKey of (4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
The InChIKey is WBDLZWMPSRTAJU-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4/h7,10-11,17H,6H2,1-5H3/t10?,11-/m1/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?
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.52, 3 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)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 118613741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).