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

C10H9N3OS — CID 661233

IUPAC5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(-c2cccs2)nc1C#N
InChIInChI=1S/C10H9N3OS/c1-13(2)10-7(6-11)12-9(14-10)8-4-3-5-15-8/h3-5H,1-2H3
InChIKeyVZDJMFFETUCXAF-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.34
Rot. Bonds2

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

5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 661233) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID661233
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(-c2cccs2)nc1C#N
InChIInChI=1S/C10H9N3OS/c1-13(2)10-7(6-11)12-9(14-10)8-4-3-5-15-8/h3-5H,1-2H3
InChIKeyVZDJMFFETUCXAF-UHFFFAOYSA-N
XLogP2.34
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 661233) is 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is CN(C)c1oc(-c2cccs2)nc1C#N.
What is the InChIKey of 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is VZDJMFFETUCXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-13(2)10-7(6-11)12-9(14-10)8-4-3-5-15-8/h3-5H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 219.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).