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

C14H15N5O — CID 106527061

IUPAC4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCN1CCN(c2noc(-c3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C14H15N5O/c1-18-6-8-19(9-7-18)14-16-13(20-17-14)12-4-2-11(10-15)3-5-12/h2-5H,6-9H2,1H3
InChIKeyNYERVPKRYIZYQI-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.36
Rot. Bonds2

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

4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 106527061) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID106527061
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCN1CCN(c2noc(-c3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C14H15N5O/c1-18-6-8-19(9-7-18)14-16-13(20-17-14)12-4-2-11(10-15)3-5-12/h2-5H,6-9H2,1H3
InChIKeyNYERVPKRYIZYQI-UHFFFAOYSA-N
XLogP1.36
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288
2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116807771
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116807815
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 56703730
4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526530
4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526858
4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 102660571
2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 133481529
5-chloro-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116807852
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 106527061) is 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile is CN1CCN(c2noc(-c3ccc(C#N)cc3)n2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is NYERVPKRYIZYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18-6-8-19(9-7-18)14-16-13(20-17-14)12-4-2-11(10-15)3-5-12/h2-5H,6-9H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 269.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 106527061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).