5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile

C9H10N4O3 — CID 70554827

IUPAC5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2C(=O)NCC2CO)c1C#N
InChIInChI=1S/C9H10N4O3/c1-5-7(2-10)8(16-12-5)13-6(4-14)3-11-9(13)15/h6,14H,3-4H2,1H3,(H,11,15)
InChIKeyWEAJBPFKRRFZTL-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.25
Rot. Bonds2

About 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile

5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile (PubChem CID 70554827) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
PubChem CID70554827
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCc1noc(N2C(=O)NCC2CO)c1C#N
InChIInChI=1S/C9H10N4O3/c1-5-7(2-10)8(16-12-5)13-6(4-14)3-11-9(13)15/h6,14H,3-4H2,1H3,(H,11,15)
InChIKeyWEAJBPFKRRFZTL-UHFFFAOYSA-N
XLogP-0.25
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Hydroxymethyl)-1-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 70556311
5-(5-Hydroxy-5-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
CID 70554825
5-(5-Hydroxy-3-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
CID 70554917
1-(3,4-Dimethyl-1,2-oxazol-5-yl)-3-methylimidazolidin-2-one
CID 70555356
3-Tert-butyl-5-(5-hydroxy-2-oxo-1-propylimidazolidin-1-ium-1-yl)-1,2-oxazole-4-carbonitrile
CID 70555404
5-(Hydroxymethyl)-1-(3-methyl-1,2-oxazol-5-yl)imidazolidin-2-one
CID 70556132
N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 115671081
1-(3,4-Dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea
CID 115759373
1-(3,4-Dimethyl-1,2-oxazol-5-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 154749686
5-[4-(Aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
CID 168660082
5-[4-(Hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile
CID 168662920
5-(4-Amino-2-oxopyrrolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
CID 168700027

Frequently Asked Questions

What is the IUPAC name of 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile (CID 70554827) is 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile is Cc1noc(N2C(=O)NCC2CO)c1C#N.
What is the InChIKey of 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
The InChIKey is WEAJBPFKRRFZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-5-7(2-10)8(16-12-5)13-6(4-14)3-11-9(13)15/h6,14H,3-4H2,1H3,(H,11,15).
What are the key properties of 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile?
5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile has a molecular weight of 222.20 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(hydroxymethyl)-2-oxoimidazolidin-1-yl]-3-methyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 70554827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).