5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile

C9H10N4O3 — CID 70554825

IUPAC5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2C(=O)NCC2(C)O)c1C#N
InChIInChI=1S/C9H10N4O3/c1-5-6(3-10)7(16-12-5)13-8(14)11-4-9(13,2)15/h15H,4H2,1-2H3,(H,11,14)
InChIKeyRAESQDCMWUFECT-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.09
Rot. Bonds1

About 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile

5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile (PubChem CID 70554825) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
PubChem CID70554825
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2C(=O)NCC2(C)O)c1C#N
InChIInChI=1S/C9H10N4O3/c1-5-6(3-10)7(16-12-5)13-8(14)11-4-9(13,2)15/h15H,4H2,1-2H3,(H,11,14)
InChIKeyRAESQDCMWUFECT-UHFFFAOYSA-N
XLogP0.09
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile (CID 70554825) is 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile is Cc1noc(N2C(=O)NCC2(C)O)c1C#N.
What is the InChIKey of 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile?
The InChIKey is RAESQDCMWUFECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-5-6(3-10)7(16-12-5)13-8(14)11-4-9(13,2)15/h15H,4H2,1-2H3,(H,11,14).
What are the key properties of 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile?
5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile has a molecular weight of 222.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 70554825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).