2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one

C8H11N3O2 — CID 131203449

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one
SMILESCc1noc(C)c1C1NCC(=O)N1
InChIInChI=1S/C8H11N3O2/c1-4-7(5(2)13-11-4)8-9-3-6(12)10-8/h8-9H,3H2,1-2H3,(H,10,12)
InChIKeyIBHOIYBZIDXQHQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.01
Rot. Bonds1

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one

2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one (PubChem CID 131203449) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one
PubChem CID131203449
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one
SMILESCc1noc(C)c1C1NCC(=O)N1
InChIInChI=1S/C8H11N3O2/c1-4-7(5(2)13-11-4)8-9-3-6(12)10-8/h8-9H,3H2,1-2H3,(H,10,12)
InChIKeyIBHOIYBZIDXQHQ-UHFFFAOYSA-N
XLogP0.01
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one (CID 131203449) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one is Cc1noc(C)c1C1NCC(=O)N1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one?
The InChIKey is IBHOIYBZIDXQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-7(5(2)13-11-4)8-9-3-6(12)10-8/h8-9H,3H2,1-2H3,(H,10,12).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one?
2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one has a molecular weight of 181.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one is sourced from PubChem (CID 131203449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).