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

C10H15N5O — CID 106527047

IUPAC3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESCN1CCN(c2noc(CCC#N)n2)CC1
InChIInChI=1S/C10H15N5O/c1-14-5-7-15(8-6-14)10-12-9(16-13-10)3-2-4-11/h2-3,5-8H2,1H3
InChIKeyYUDBDSUORCTXTR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.28
Rot. Bonds3

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

3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile (PubChem CID 106527047) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
PubChem CID106527047
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESCN1CCN(c2noc(CCC#N)n2)CC1
InChIInChI=1S/C10H15N5O/c1-14-5-7-15(8-6-14)10-12-9(16-13-10)3-2-4-11/h2-3,5-8H2,1H3
InChIKeyYUDBDSUORCTXTR-UHFFFAOYSA-N
XLogP0.28
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116809557
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106527584
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
3-(4-methylpiperazin-1-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 116807868
3-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527591
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527061
3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527504
2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116806750
3-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]pentanenitrile
CID 106527590
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile (CID 106527047) is 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile is CN1CCN(c2noc(CCC#N)n2)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The InChIKey is YUDBDSUORCTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-14-5-7-15(8-6-14)10-12-9(16-13-10)3-2-4-11/h2-3,5-8H2,1H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile has a molecular weight of 221.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile is sourced from PubChem (CID 106527047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).