3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole

C18H19N5O — CID 155948851

IUPAC3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole
SMILESCN1CCN(c2cccc(-c3noc(-c4ccccc4)n3)n2)CC1
InChIInChI=1S/C18H19N5O/c1-22-10-12-23(13-11-22)16-9-5-8-15(19-16)17-20-18(24-21-17)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyRASHPSOHHZUSAQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.55
Rot. Bonds3

About 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole

3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 155948851) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID155948851
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole
SMILESCN1CCN(c2cccc(-c3noc(-c4ccccc4)n3)n2)CC1
InChIInChI=1S/C18H19N5O/c1-22-10-12-23(13-11-22)16-9-5-8-15(19-16)17-20-18(24-21-17)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyRASHPSOHHZUSAQ-UHFFFAOYSA-N
XLogP2.55
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
CID 166214271
3-[6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole;tetrahydrochloride
CID 140701984
5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole
CID 133482718
3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 136531288
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483331
3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037147
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116807815
N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine
CID 167900421
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
1-methyl-4-(6-methyl-4-phenyl-2-pyridinyl)piperazine
CID 11010984

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole (CID 155948851) is 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole is CN1CCN(c2cccc(-c3noc(-c4ccccc4)n3)n2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is RASHPSOHHZUSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22-10-12-23(13-11-22)16-9-5-8-15(19-16)17-20-18(24-21-17)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole?
3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 321.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 155948851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).