5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole

C15H19N5O — CID 155952563

IUPAC5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCN1CCN(c2cc(-c3noc(C4CC4)n3)ccn2)CC1
InChIInChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)13-10-12(4-5-16-13)14-17-15(21-18-14)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyLIUDNKMNTJWYRO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds3

About 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 155952563) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID155952563
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCN1CCN(c2cc(-c3noc(C4CC4)n3)ccn2)CC1
InChIInChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)13-10-12(4-5-16-13)14-17-15(21-18-14)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyLIUDNKMNTJWYRO-UHFFFAOYSA-N
XLogP1.76
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
CID 53133392
2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 11992706
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine
CID 166269875
5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 166243754
1-[4-[2-[3-[2-(4-acetylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75614802
1-[4-[4-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614809
1-[4-[4-[5-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 51136816
1-[4-[4-[5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 51136828
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614858
2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681960
1-[4-[4-[5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614823
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
CID 56770198

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole (CID 155952563) is 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole is CN1CCN(c2cc(-c3noc(C4CC4)n3)ccn2)CC1.
What is the InChIKey of 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is LIUDNKMNTJWYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)13-10-12(4-5-16-13)14-17-15(21-18-14)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155952563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).