1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one

C11H17N3O3 — CID 70554730

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one
SMILESCC(C)(C)c1cc(N2C(=O)NCC2CO)on1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)8-4-9(17-13-8)14-7(6-15)5-12-10(14)16/h4,7,15H,5-6H2,1-3H3,(H,12,16)
InChIKeyCDPYTPJJQXBIPU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.86
Rot. Bonds2

About 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one

1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one (PubChem CID 70554730) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one
PubChem CID70554730
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one
SMILESCC(C)(C)c1cc(N2C(=O)NCC2CO)on1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)8-4-9(17-13-8)14-7(6-15)5-12-10(14)16/h4,7,15H,5-6H2,1-3H3,(H,12,16)
InChIKeyCDPYTPJJQXBIPU-UHFFFAOYSA-N
XLogP0.86
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one (CID 70554730) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one is CC(C)(C)c1cc(N2C(=O)NCC2CO)on1.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one?
The InChIKey is CDPYTPJJQXBIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)8-4-9(17-13-8)14-7(6-15)5-12-10(14)16/h4,7,15H,5-6H2,1-3H3,(H,12,16).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one?
1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one has a molecular weight of 239.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-(hydroxymethyl)imidazolidin-2-one is sourced from PubChem (CID 70554730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).