5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C20H30N4O4S — CID 59293910

IUPAC5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)CCOc3ccc(S(C)(=O)=O)cn3)CC2)n1
InChIInChI=1S/C20H30N4O4S/c1-14(2)19-22-20(28-23-19)24-10-7-16(8-11-24)15(3)9-12-27-18-6-5-17(13-21-18)29(4,25)26/h5-6,13-16H,7-12H2,1-4H3/t15-/m1/s1
InChIKeyRHUHTWWSPLMORB-OAHLLOKOSA-N
MW422.55 g/mol
LogP3.31
Rot. Bonds8

About 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 59293910) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID59293910
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)CCOc3ccc(S(C)(=O)=O)cn3)CC2)n1
InChIInChI=1S/C20H30N4O4S/c1-14(2)19-22-20(28-23-19)24-10-7-16(8-11-24)15(3)9-12-27-18-6-5-17(13-21-18)29(4,25)26/h5-6,13-16H,7-12H2,1-4H3/t15-/m1/s1
InChIKeyRHUHTWWSPLMORB-OAHLLOKOSA-N
XLogP3.31
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[(2R)-4-[(6-methylsulfonyl-3-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 68548914
2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyridine-3-carboxylic acid
CID 67134697
3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 141278196
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
5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177753
5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177801
5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propyl-1,2,4-oxadiazole
CID 123848959
[(3S,4S)-4-amino-1-[5-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-2-yl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 53491969
tert-butyl N-[(3S,4S)-4-(2-oxopiperidin-1-yl)-1-[6-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]-3-pyridinyl]pyrrolidin-3-yl]carbamate
CID 66606485
5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 69053566
5-ethyl-2-[4-[4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 75081193
5-ethyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 44608534

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC([C@H](C)CCOc3ccc(S(C)(=O)=O)cn3)CC2)n1.
What is the InChIKey of 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RHUHTWWSPLMORB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-14(2)19-22-20(28-23-19)24-10-7-16(8-11-24)15(3)9-12-27-18-6-5-17(13-21-18)29(4,25)26/h5-6,13-16H,7-12H2,1-4H3/t15-/m1/s1.
What are the key properties of 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 422.55 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 59293910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).