2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile

C13H14N4O2S — CID 104677235

IUPAC2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
SMILESCCN1CCOC(c2noc(-c3sccc3C#N)n2)C1
InChIInChI=1S/C13H14N4O2S/c1-2-17-4-5-18-10(8-17)12-15-13(19-16-12)11-9(7-14)3-6-20-11/h3,6,10H,2,4-5,8H2,1H3
InChIKeyKMAZZYDQFHBKIF-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.06
Rot. Bonds3

About 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile

2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile (PubChem CID 104677235) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
PubChem CID104677235
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
SMILESCCN1CCOC(c2noc(-c3sccc3C#N)n2)C1
InChIInChI=1S/C13H14N4O2S/c1-2-17-4-5-18-10(8-17)12-15-13(19-16-12)11-9(7-14)3-6-20-11/h3,6,10H,2,4-5,8H2,1H3
InChIKeyKMAZZYDQFHBKIF-UHFFFAOYSA-N
XLogP2.06
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677302
4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525764
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 79669288
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904167
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665076
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106526006
5-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665321
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285009
4-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665313
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile
CID 97344593

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The IUPAC name of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile (CID 104677235) is 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The canonical SMILES for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile is CCN1CCOC(c2noc(-c3sccc3C#N)n2)C1.
What is the InChIKey of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The InChIKey is KMAZZYDQFHBKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-2-17-4-5-18-10(8-17)12-15-13(19-16-12)11-9(7-14)3-6-20-11/h3,6,10H,2,4-5,8H2,1H3.
What are the key properties of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile has a molecular weight of 290.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 104677235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).