5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C12H11N3O2S — CID 892396

IUPAC5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCOCC1
InChIInChI=1S/C12H11N3O2S/c13-8-9-12(15-3-5-16-6-4-15)17-11(14-9)10-2-1-7-18-10/h1-2,7H,3-6H2
InChIKeyXAGWXZRVFOZLMS-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.11
Rot. Bonds2

About 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 892396) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID892396
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCOCC1
InChIInChI=1S/C12H11N3O2S/c13-8-9-12(15-3-5-16-6-4-15)17-11(14-9)10-2-1-7-18-10/h1-2,7H,3-6H2
InChIKeyXAGWXZRVFOZLMS-UHFFFAOYSA-N
XLogP2.11
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-morpholin-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-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 892396) is 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1N1CCOCC1.
What is the InChIKey of 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is XAGWXZRVFOZLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-8-9-12(15-3-5-16-6-4-15)17-11(14-9)10-2-1-7-18-10/h1-2,7H,3-6H2.
What are the key properties of 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 261.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).