5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole

C20H29N3O5S — CID 44610385

IUPAC5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCOCc1nc(N2CCC([C@H](C)CCOc3ccc(S(C)(=O)=O)cc3)CC2)no1
InChIInChI=1S/C20H29N3O5S/c1-15(10-13-27-17-4-6-18(7-5-17)29(3,24)25)16-8-11-23(12-9-16)20-21-19(14-26-2)28-22-20/h4-7,15-16H,8-14H2,1-3H3/t15-/m1/s1
InChIKeyLPKXFPMTBQDNMG-OAHLLOKOSA-N
MW423.54 g/mol
LogP2.94
Rot. Bonds9

About 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole

5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 44610385) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID44610385
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCOCc1nc(N2CCC([C@H](C)CCOc3ccc(S(C)(=O)=O)cc3)CC2)no1
InChIInChI=1S/C20H29N3O5S/c1-15(10-13-27-17-4-6-18(7-5-17)29(3,24)25)16-8-11-23(12-9-16)20-21-19(14-26-2)28-22-20/h4-7,15-16H,8-14H2,1-3H3/t15-/m1/s1
InChIKeyLPKXFPMTBQDNMG-OAHLLOKOSA-N
XLogP2.94
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-ethyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 44608534
5-ethyl-2-[4-[4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 75081193
2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine
CID 44608531
3-[4-[(2R)-4-(4-methylsulfinylphenoxy)butan-2-yl]piperidin-1-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 143923734
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-[(2R)-4-[(6-methylsulfonyl-3-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 68548914
3-[4-[4-(4-methylsulfanylphenoxy)butan-2-yl]piperidin-1-yl]-5-(oxolan-3-yl)-1,2,4-oxadiazole
CID 90912628
5-(ethoxymethyl)-3-[4-[1-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]-2-bicyclo[1.1.0]butanyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 123832874
5-butyl-2-[4-[(2R)-4-(4-methylsulfinylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 143923526
2-[4-[(3R)-3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]butoxy]phenyl]cyclopropane-1-carboxylic acid
CID 71667058
propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022689
3-[3-methyl-4-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 67037548

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (CID 44610385) is 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is COCc1nc(N2CCC([C@H](C)CCOc3ccc(S(C)(=O)=O)cc3)CC2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is LPKXFPMTBQDNMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-15(10-13-27-17-4-6-18(7-5-17)29(3,24)25)16-8-11-23(12-9-16)20-21-19(14-26-2)28-22-20/h4-7,15-16H,8-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 423.54 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 44610385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).