2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile

C13H20N4O2 — CID 106525813

IUPAC2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESCCCN1CCOC(c2noc(CC(C)C#N)n2)C1
InChIInChI=1S/C13H20N4O2/c1-3-4-17-5-6-18-11(9-17)13-15-12(19-16-13)7-10(2)8-14/h10-11H,3-7,9H2,1-2H3
InChIKeyFYUKXAREVNCWBC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.56
Rot. Bonds5

About 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile

2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile (PubChem CID 106525813) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
PubChem CID106525813
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESCCCN1CCOC(c2noc(CC(C)C#N)n2)C1
InChIInChI=1S/C13H20N4O2/c1-3-4-17-5-6-18-11(9-17)13-15-12(19-16-13)7-10(2)8-14/h10-11H,3-7,9H2,1-2H3
InChIKeyFYUKXAREVNCWBC-UHFFFAOYSA-N
XLogP1.56
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79664685
N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79668683
3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79657503
1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664676
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79669363
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79663029
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525013
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79665429
2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-4-propylmorpholine
CID 79663243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The IUPAC name of 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile (CID 106525813) is 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The canonical SMILES for 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile is CCCN1CCOC(c2noc(CC(C)C#N)n2)C1.
What is the InChIKey of 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The InChIKey is FYUKXAREVNCWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-4-17-5-6-18-11(9-17)13-15-12(19-16-13)7-10(2)8-14/h10-11H,3-7,9H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile has a molecular weight of 264.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile is sourced from PubChem (CID 106525813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).