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

C13H21N3O4 — CID 118608841

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCOCC1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/C13H21N3O4/c1-13(2,3)9-6-10(14-20-9)16-11(17)8(7-19-5)15(4)12(16)18/h6,8,11,17H,7H2,1-5H3
InChIKeyCARXKMLWLAQGBF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.18
Rot. Bonds3

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (PubChem CID 118608841) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
PubChem CID118608841
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCOCC1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/C13H21N3O4/c1-13(2,3)9-6-10(14-20-9)16-11(17)8(7-19-5)15(4)12(16)18/h6,8,11,17H,7H2,1-5H3
InChIKeyCARXKMLWLAQGBF-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethyl-5-hydroxy-3-methylimidazolidin-2-one
CID 146547637
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one
CID 118614402
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
CID 118613741
(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
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
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
3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one
CID 70493740
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
1-ethyl-4-hydroxy-3-[5-(2-methoxybutan-2-yl)-1,2-oxazol-3-yl]-5-prop-2-enylimidazolidin-2-one
CID 20560667

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (CID 118608841) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is COCC1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The InChIKey is CARXKMLWLAQGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(2,3)9-6-10(14-20-9)16-11(17)8(7-19-5)15(4)12(16)18/h6,8,11,17H,7H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 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)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 118608841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).