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

C19H20N4O3S — CID 1293454

IUPAC2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)CC1
InChIInChI=1S/C19H20N4O3S/c1-14-7-10-23(11-8-14)27(24,25)17-6-2-4-15(12-17)18-21-22-19(26-18)16-5-3-9-20-13-16/h2-6,9,12-14H,7-8,10-11H2,1H3
InChIKeyNKAUIYRZKDULDJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.22
Rot. Bonds4

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

2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 1293454) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID1293454
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)CC1
InChIInChI=1S/C19H20N4O3S/c1-14-7-10-23(11-8-14)27(24,25)17-6-2-4-15(12-17)18-21-22-19(26-18)16-5-3-9-20-13-16/h2-6,9,12-14H,7-8,10-11H2,1H3
InChIKeyNKAUIYRZKDULDJ-UHFFFAOYSA-N
XLogP3.22
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 1293454) is 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole is CC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is NKAUIYRZKDULDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-7-10-23(11-8-14)27(24,25)17-6-2-4-15(12-17)18-21-22-19(26-18)16-5-3-9-20-13-16/h2-6,9,12-14H,7-8,10-11H2,1H3.
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 384.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 1293454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).