3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole

C20H28N4O5S — CID 129310068

IUPAC3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC([C@H]3CC3CCOc3ccc(S(C)(=O)=O)cn3)CC2)n1
InChIInChI=1S/C20H28N4O5S/c1-27-13-18-22-20(29-23-18)24-8-5-14(6-9-24)17-11-15(17)7-10-28-19-4-3-16(12-21-19)30(2,25)26/h3-4,12,14-15,17H,5-11,13H2,1-2H3/t15?,17-/m1/s1
InChIKeyVRVDKIDVJMSZEG-OMOCHNIRSA-N
MW436.53 g/mol
LogP2.34
Rot. Bonds9

About 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole

3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 129310068) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID129310068
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Name3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC([C@H]3CC3CCOc3ccc(S(C)(=O)=O)cn3)CC2)n1
InChIInChI=1S/C20H28N4O5S/c1-27-13-18-22-20(29-23-18)24-8-5-14(6-9-24)17-11-15(17)7-10-28-19-4-3-16(12-21-19)30(2,25)26/h3-4,12,14-15,17H,5-11,13H2,1-2H3/t15?,17-/m1/s1
InChIKeyVRVDKIDVJMSZEG-OMOCHNIRSA-N
XLogP2.34
TPSA107.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propyl-1,2,4-oxadiazole
CID 123848959
3-[5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazol-3-yl]propanal
CID 129310065
2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole
CID 123285120
2-[4-[(1R,2S)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-5-phenyl-1,3,4-oxadiazole
CID 70856297
5-[4-[2-[2-[(5-methylsulfinyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 129309905
3-[4-[(1R,2S)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
CID 66562346
2-[2-fluoro-4-[2-[2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetic acid
CID 70819139
2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine
CID 78097518
3,4-dimethyl-7-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-4,5-dihydrooxazepine
CID 123993495
3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 70855999
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
2-(2-cyclopropylethoxy)-5-methylsulfonylpyridine
CID 123409029

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 129310068) is 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole is COCc1noc(N2CCC([C@H]3CC3CCOc3ccc(S(C)(=O)=O)cn3)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is VRVDKIDVJMSZEG-OMOCHNIRSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-27-13-18-22-20(29-23-18)24-8-5-14(6-9-24)17-11-15(17)7-10-28-19-4-3-16(12-21-19)30(2,25)26/h3-4,12,14-15,17H,5-11,13H2,1-2H3/t15?,17-/m1/s1.
What are the key properties of 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 436.53 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[4-[(1R)-2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129310068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).