5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C24H30N4O4S — CID 59177801

IUPAC5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(C)Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
InChIInChI=1S/C24H30N4O4S/c1-16(2)23-26-24(32-27-23)28-13-11-18(12-14-28)17(3)31-20-7-10-22(25-15-20)19-5-8-21(9-6-19)33(4,29)30/h5-10,15-18H,11-14H2,1-4H3
InChIKeyZMQOSPYFAHVHTP-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.34
Rot. Bonds7

About 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 59177801) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID59177801
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(C)Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
InChIInChI=1S/C24H30N4O4S/c1-16(2)23-26-24(32-27-23)28-13-11-18(12-14-28)17(3)31-20-7-10-22(25-15-20)19-5-8-21(9-6-19)33(4,29)30/h5-10,15-18H,11-14H2,1-4H3
InChIKeyZMQOSPYFAHVHTP-UHFFFAOYSA-N
XLogP4.34
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 59177801) is 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(C(C)Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1.
What is the InChIKey of 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is ZMQOSPYFAHVHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-16(2)23-26-24(32-27-23)28-13-11-18(12-14-28)17(3)31-20-7-10-22(25-15-20)19-5-8-21(9-6-19)33(4,29)30/h5-10,15-18H,11-14H2,1-4H3.
What are the key properties of 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 470.60 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 59177801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).