4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one

C19H27N5O2 — CID 47035639

IUPAC4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
SMILESCC(C)c1noc(CCCC(=O)N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C19H27N5O2/c1-15(2)19-21-17(26-22-19)7-5-8-18(25)24-12-10-23(11-13-24)14-16-6-3-4-9-20-16/h3-4,6,9,15H,5,7-8,10-14H2,1-2H3
InChIKeySTVUOOLXKNRVGY-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.26
Rot. Bonds7

About 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one (PubChem CID 47035639) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
PubChem CID47035639
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
SMILESCC(C)c1noc(CCCC(=O)N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C19H27N5O2/c1-15(2)19-21-17(26-22-19)7-5-8-18(25)24-12-10-23(11-13-24)14-16-6-3-4-9-20-16/h3-4,6,9,15H,5,7-8,10-14H2,1-2H3
InChIKeySTVUOOLXKNRVGY-UHFFFAOYSA-N
XLogP2.26
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(Cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 935651
2-(5-Cyclobutyl-1,2,4-oxadiazol-3-yl)pyridine
CID 2742571
5-Propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 662473
2-[5-(4-Butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2264736
(S)-(2,4-difluorophenyl)(3-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 15948583
N-Adamantan-2-yl-3,3-dimethyl-4-(3-pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-butyramide
CID 24948552
5-Methyl-3-(pyridin-2-yl)-1,2,4-oxadiazole
CID 268849
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 666965
4-(3-Pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 2806704
5-Cyclohexyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 646251
4-(3-Pyridin-4-yl-[1,2,4]oxadiazol-5-yl)-piperidine-1-carboxylic acid diisopropylamide
CID 654334
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
CID 666501

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one (CID 47035639) is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one is CC(C)c1noc(CCCC(=O)N2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one?
The InChIKey is STVUOOLXKNRVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-15(2)19-21-17(26-22-19)7-5-8-18(25)24-12-10-23(11-13-24)14-16-6-3-4-9-20-16/h3-4,6,9,15H,5,7-8,10-14H2,1-2H3.
What are the key properties of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one?
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one has a molecular weight of 357.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 47035639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).