5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile

C7H9N3O2 — CID 126836626

IUPAC5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(CO)nc1C#N
InChIInChI=1S/C7H9N3O2/c1-10(2)7-5(3-8)9-6(4-11)12-7/h11H,4H2,1-2H3
InChIKeyZHYYFZUZKRMNTF-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.10
Rot. Bonds2

About 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile

5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 126836626) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile
PubChem CID126836626
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(CO)nc1C#N
InChIInChI=1S/C7H9N3O2/c1-10(2)7-5(3-8)9-6(4-11)12-7/h11H,4H2,1-2H3
InChIKeyZHYYFZUZKRMNTF-UHFFFAOYSA-N
XLogP0.10
TPSA73.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile (CID 126836626) is 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile is CN(C)c1oc(CO)nc1C#N.
What is the InChIKey of 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is ZHYYFZUZKRMNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-10(2)7-5(3-8)9-6(4-11)12-7/h11H,4H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile?
5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 167.17 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 126836626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).