5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C23H29N5O4S — CID 59177753

IUPAC5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(C)Oc3cnc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)n1
InChIInChI=1S/C23H29N5O4S/c1-15(2)22-26-23(32-27-22)28-11-9-17(10-12-28)16(3)31-21-14-24-20(13-25-21)18-5-7-19(8-6-18)33(4,29)30/h5-8,13-17H,9-12H2,1-4H3
InChIKeyBPKMCVFUCFDOST-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.74
Rot. Bonds7

About 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 59177753) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID59177753
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(C)Oc3cnc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)n1
InChIInChI=1S/C23H29N5O4S/c1-15(2)22-26-23(32-27-22)28-11-9-17(10-12-28)16(3)31-21-14-24-20(13-25-21)18-5-7-19(8-6-18)33(4,29)30/h5-8,13-17H,9-12H2,1-4H3
InChIKeyBPKMCVFUCFDOST-UHFFFAOYSA-N
XLogP3.74
TPSA111.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177801
3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 44628381
5-[4-[1-[[5-(5-methylsulfonyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985117
propan-2-yl 4-[(1R)-1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 59177827
5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59293910
5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985190
5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131984708
5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 69053566
3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 131985337
N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide
CID 175223353
[4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[4,5-b]pyrazin-6-yl]phenyl]methanesulfinic acid
CID 146315244
5-[4-[1-[[5-(4-cyclopropylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985251

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 59177753) is 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(C(C)Oc3cnc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)n1.
What is the InChIKey of 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is BPKMCVFUCFDOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-15(2)22-26-23(32-27-22)28-11-9-17(10-12-28)16(3)31-21-14-24-20(13-25-21)18-5-7-19(8-6-18)33(4,29)30/h5-8,13-17H,9-12H2,1-4H3.
What are the key properties of 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 471.58 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 59177753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).