3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile

C11H16N4O2 — CID 106527504

IUPAC3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
SMILESCC(CC#N)Cc1nc(N2CCOCC2)no1
InChIInChI=1S/C11H16N4O2/c1-9(2-3-12)8-10-13-11(14-17-10)15-4-6-16-7-5-15/h9H,2,4-8H2,1H3
InChIKeyIZLJUVKXGDKDDK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.00
Rot. Bonds4

About 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile

3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile (PubChem CID 106527504) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile.

Molecular Properties

Compound Name3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
PubChem CID106527504
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
SMILESCC(CC#N)Cc1nc(N2CCOCC2)no1
InChIInChI=1S/C11H16N4O2/c1-9(2-3-12)8-10-13-11(14-17-10)15-4-6-16-7-5-15/h9H,2,4-8H2,1H3
InChIKeyIZLJUVKXGDKDDK-UHFFFAOYSA-N
XLogP1.00
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527591
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527519
3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 116809221
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809224
4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 116808797
3-methyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526632
N-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 116809245
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106525786
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106527584

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile?
The IUPAC name of 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile (CID 106527504) is 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile.
What is the SMILES notation for 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile?
The canonical SMILES for 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile is CC(CC#N)Cc1nc(N2CCOCC2)no1.
What is the InChIKey of 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile?
The InChIKey is IZLJUVKXGDKDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(2-3-12)8-10-13-11(14-17-10)15-4-6-16-7-5-15/h9H,2,4-8H2,1H3.
What are the key properties of 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile?
3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile has a molecular weight of 236.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile is sourced from PubChem (CID 106527504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).