tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C21H32N4O4 — CID 55994130

IUPACtert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(Cc2nc(-c3ccco3)no2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H32N4O4/c1-15(2)25(20(26)28-21(3,4)5)13-16-8-6-10-24(12-16)14-18-22-19(23-29-18)17-9-7-11-27-17/h7,9,11,15-16H,6,8,10,12-14H2,1-5H3
InChIKeyVJYOWGIIPHTLNL-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.19
Rot. Bonds6

About tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55994130) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55994130
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Nametert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(Cc2nc(-c3ccco3)no2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H32N4O4/c1-15(2)25(20(26)28-21(3,4)5)13-16-8-6-10-24(12-16)14-18-22-19(23-29-18)17-9-7-11-27-17/h7,9,11,15-16H,6,8,10,12-14H2,1-5H3
InChIKeyVJYOWGIIPHTLNL-UHFFFAOYSA-N
XLogP4.19
TPSA84.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826643
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
tert-butyl N-[[1-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55995810
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825995
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917768
tert-butyl N-[[1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826127
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
CID 78925869
tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826736
tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55994130) is tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(CC1CCCN(Cc2nc(-c3ccco3)no2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is VJYOWGIIPHTLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-15(2)25(20(26)28-21(3,4)5)13-16-8-6-10-24(12-16)14-18-22-19(23-29-18)17-9-7-11-27-17/h7,9,11,15-16H,6,8,10,12-14H2,1-5H3.
What are the key properties of tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 404.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55994130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).