3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole

C18H19N5O3S — CID 53006809

IUPAC3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3noc(-c4cnccn4)n3)cc2)CC1
InChIInChI=1S/C18H19N5O3S/c1-13-6-10-23(11-7-13)27(24,25)15-4-2-14(3-5-15)17-21-18(26-22-17)16-12-19-8-9-20-16/h2-5,8-9,12-13H,6-7,10-11H2,1H3
InChIKeySUMOHQGDGALXDT-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.61
Rot. Bonds4

About 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole

3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 53006809) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID53006809
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3noc(-c4cnccn4)n3)cc2)CC1
InChIInChI=1S/C18H19N5O3S/c1-13-6-10-23(11-7-13)27(24,25)15-4-2-14(3-5-15)17-21-18(26-22-17)16-12-19-8-9-20-16/h2-5,8-9,12-13H,6-7,10-11H2,1H3
InChIKeySUMOHQGDGALXDT-UHFFFAOYSA-N
XLogP2.61
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,5-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075313
5-(2-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075353
5-(3-methylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075322
3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53075259
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347
5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 4644145
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205246
3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 50824921
5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53082466
1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852096
N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline
CID 53013602
N-[2-(dimethylamino)ethyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205247

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole (CID 53006809) is 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole is CC1CCN(S(=O)(=O)c2ccc(-c3noc(-c4cnccn4)n3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is SUMOHQGDGALXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-13-6-10-23(11-7-13)27(24,25)15-4-2-14(3-5-15)17-21-18(26-22-17)16-12-19-8-9-20-16/h2-5,8-9,12-13H,6-7,10-11H2,1H3.
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 385.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53006809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).