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

C14H15N5O2 — CID 106525764

IUPAC4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCCN1CCOC(c2noc(-c3ccnc(C#N)c3)n2)C1
InChIInChI=1S/C14H15N5O2/c1-2-19-5-6-20-12(9-19)13-17-14(21-18-13)10-3-4-16-11(7-10)8-15/h3-4,7,12H,2,5-6,9H2,1H3
InChIKeyYYKPAHOUDVCJGN-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.40
Rot. Bonds3

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

4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 106525764) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID106525764
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCCN1CCOC(c2noc(-c3ccnc(C#N)c3)n2)C1
InChIInChI=1S/C14H15N5O2/c1-2-19-5-6-20-12(9-19)13-17-14(21-18-13)10-3-4-16-11(7-10)8-15/h3-4,7,12H,2,5-6,9H2,1H3
InChIKeyYYKPAHOUDVCJGN-UHFFFAOYSA-N
XLogP1.40
TPSA88.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677235
[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
5-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665321
4-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665313
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904167
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833
4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile
CID 97344593
(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyridin-2-ylmethyl)morpholine
CID 97344246
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
CID 97344255
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 106525764) is 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is CCN1CCOC(c2noc(-c3ccnc(C#N)c3)n2)C1.
What is the InChIKey of 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is YYKPAHOUDVCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-2-19-5-6-20-12(9-19)13-17-14(21-18-13)10-3-4-16-11(7-10)8-15/h3-4,7,12H,2,5-6,9H2,1H3.
What are the key properties of 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 106525764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).