2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile

C18H24N6O — CID 95621585

IUPAC2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC(C)Cc1nnc([C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)o1
InChIInChI=1S/C18H24N6O/c1-13(2)10-17-21-22-18(25-17)14(3)23-6-8-24(9-7-23)16-11-15(12-19)4-5-20-16/h4-5,11,13-14H,6-10H2,1-3H3/t14-/m0/s1
InChIKeyOMECKCBPXXVKNR-AWEZNQCLSA-N
MW340.43 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 95621585) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID95621585
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC(C)Cc1nnc([C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)o1
InChIInChI=1S/C18H24N6O/c1-13(2)10-17-21-22-18(25-17)14(3)23-6-8-24(9-7-23)16-11-15(12-19)4-5-20-16/h4-5,11,13-14H,6-10H2,1-3H3/t14-/m0/s1
InChIKeyOMECKCBPXXVKNR-AWEZNQCLSA-N
XLogP2.42
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 95621585) is 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile is CC(C)Cc1nnc([C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)o1.
What is the InChIKey of 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is OMECKCBPXXVKNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13(2)10-17-21-22-18(25-17)14(3)23-6-8-24(9-7-23)16-11-15(12-19)4-5-20-16/h4-5,11,13-14H,6-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 95621585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).