3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole

C20H25N3O4S — CID 163338577

IUPAC3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C20H25N3O4S/c24-28(25,18-9-8-14-3-1-4-16(14)11-18)23-10-2-5-17(12-23)26-13-19-21-20(22-27-19)15-6-7-15/h8-9,11,15,17H,1-7,10,12-13H2
InChIKeyLGSIIXYVXRMJQH-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.81
Rot. Bonds6

About 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 163338577) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID163338577
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C20H25N3O4S/c24-28(25,18-9-8-14-3-1-4-16(14)11-18)23-10-2-5-17(12-23)26-13-19-21-20(22-27-19)15-6-7-15/h8-9,11,15,17H,1-7,10,12-13H2
InChIKeyLGSIIXYVXRMJQH-UHFFFAOYSA-N
XLogP2.81
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole
CID 121092849
3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
CID 163339762
5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole
CID 163339942
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53130827
3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 53008544
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
3-(4-methoxyphenyl)-5-[(3S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 27443705
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95990830
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (CID 163338577) is 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is O=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(OCc2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is LGSIIXYVXRMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c24-28(25,18-9-8-14-3-1-4-16(14)11-18)23-10-2-5-17(12-23)26-13-19-21-20(22-27-19)15-6-7-15/h8-9,11,15,17H,1-7,10,12-13H2.
What are the key properties of 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole has a molecular weight of 403.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 163338577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).