5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C14H15N3O2S — CID 661188

IUPAC5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC1CN(c2oc(-c3cccs3)nc2C#N)CC(C)O1
InChIInChI=1S/C14H15N3O2S/c1-9-7-17(8-10(2)18-9)14-11(6-15)16-13(19-14)12-4-3-5-20-12/h3-5,9-10H,7-8H2,1-2H3
InChIKeyDEUUDJDJZKLUJV-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.89
Rot. Bonds2

About 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 661188) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID661188
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC1CN(c2oc(-c3cccs3)nc2C#N)CC(C)O1
InChIInChI=1S/C14H15N3O2S/c1-9-7-17(8-10(2)18-9)14-11(6-15)16-13(19-14)12-4-3-5-20-12/h3-5,9-10H,7-8H2,1-2H3
InChIKeyDEUUDJDJZKLUJV-UHFFFAOYSA-N
XLogP2.89
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 661188) is 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is CC1CN(c2oc(-c3cccs3)nc2C#N)CC(C)O1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is DEUUDJDJZKLUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-7-17(8-10(2)18-9)14-11(6-15)16-13(19-14)12-4-3-5-20-12/h3-5,9-10H,7-8H2,1-2H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 289.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).