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

C11H17N3O2 — CID 13489609

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cc(C(C)(C)C)on2)C1=O
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-7-9(12-16-8)14-6-5-13(4)10(14)15/h7H,5-6H2,1-4H3
InChIKeyDKNLLTXAWIZBDS-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.84
Rot. Bonds1

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one (PubChem CID 13489609) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one
PubChem CID13489609
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cc(C(C)(C)C)on2)C1=O
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-7-9(12-16-8)14-6-5-13(4)10(14)15/h7H,5-6H2,1-4H3
InChIKeyDKNLLTXAWIZBDS-UHFFFAOYSA-N
XLogP1.84
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one (CID 13489609) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one is CN1CCN(c2cc(C(C)(C)C)on2)C1=O.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one?
The InChIKey is DKNLLTXAWIZBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)8-7-9(12-16-8)14-6-5-13(4)10(14)15/h7H,5-6H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 13489609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).