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

C14H16N4O2S — CID 661062

IUPAC5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1NCCN1CCOCC1
InChIInChI=1S/C14H16N4O2S/c15-10-11-13(16-3-4-18-5-7-19-8-6-18)20-14(17-11)12-2-1-9-21-12/h1-2,9,16H,3-8H2
InChIKeyJTELPPFMIYXVON-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.02
Rot. Bonds5

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

5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 661062) has the molecular formula C14H16N4O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID661062
Molecular FormulaC14H16N4O2S
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1NCCN1CCOCC1
InChIInChI=1S/C14H16N4O2S/c15-10-11-13(16-3-4-18-5-7-19-8-6-18)20-14(17-11)12-2-1-9-21-12/h1-2,9,16H,3-8H2
InChIKeyJTELPPFMIYXVON-UHFFFAOYSA-N
XLogP2.02
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 661062) is 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1NCCN1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is JTELPPFMIYXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-10-11-13(16-3-4-18-5-7-19-8-6-18)20-14(17-11)12-2-1-9-21-12/h1-2,9,16H,3-8H2.
What are the key properties of 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 304.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).