3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile

C16H21N5O2S — CID 86911550

IUPAC3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile
SMILESN#CCCN(CCN1CCOCC1)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C16H21N5O2S/c17-3-1-4-21(6-5-20-7-9-22-10-8-20)12-15-18-16(19-23-15)14-2-11-24-13-14/h2,11,13H,1,4-10,12H2
InChIKeyWMVIUUJXOAVGKU-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.85
Rot. Bonds8

About 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile

3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile (PubChem CID 86911550) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile
PubChem CID86911550
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile
SMILESN#CCCN(CCN1CCOCC1)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C16H21N5O2S/c17-3-1-4-21(6-5-20-7-9-22-10-8-20)12-15-18-16(19-23-15)14-2-11-24-13-14/h2,11,13H,1,4-10,12H2
InChIKeyWMVIUUJXOAVGKU-UHFFFAOYSA-N
XLogP1.85
TPSA78.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile?
The IUPAC name of 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile (CID 86911550) is 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile is N#CCCN(CCN1CCOCC1)Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile?
The InChIKey is WMVIUUJXOAVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c17-3-1-4-21(6-5-20-7-9-22-10-8-20)12-15-18-16(19-23-15)14-2-11-24-13-14/h2,11,13H,1,4-10,12H2.
What are the key properties of 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile?
3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile has a molecular weight of 347.44 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-ylethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 86911550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).