tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane

C26H39N5O3 — CID 142520790

IUPACtert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane
SMILESCC.C[C@@H]1C[C@H](c2noc(-c3ccc4c(c3)N(C3CCC3)NC4)n2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H33N5O3.C2H6/c1-15-12-16(10-11-28(15)23(30)31-24(2,3)4)21-26-22(32-27-21)17-8-9-18-14-25-29(20(18)13-17)19-6-5-7-19;1-2/h8-9,13,15-16,19,25H,5-7,10-12,14H2,1-4H3;1-2H3/t15-,16-;/m1./s1
InChIKeyQBYSBBGQOPBPAM-QNBGGDODSA-N
MW469.63 g/mol
LogP5.64
Rot. Bonds3

About tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane

tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane (PubChem CID 142520790) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane
PubChem CID142520790
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC Nametert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane
SMILESCC.C[C@@H]1C[C@H](c2noc(-c3ccc4c(c3)N(C3CCC3)NC4)n2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H33N5O3.C2H6/c1-15-12-16(10-11-28(15)23(30)31-24(2,3)4)21-26-22(32-27-21)17-8-9-18-14-25-29(20(18)13-17)19-6-5-7-19;1-2/h8-9,13,15-16,19,25H,5-7,10-12,14H2,1-4H3;1-2H3/t15-,16-;/m1./s1
InChIKeyQBYSBBGQOPBPAM-QNBGGDODSA-N
XLogP5.64
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate
CID 142520791
tert-butyl (2S,4S)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439350
tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate
CID 175958198
tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139330971
tert-butyl (2S,4S)-4-(4-hydroxyphenyl)-2-methylpiperidine-1-carboxylate
CID 101245812
2-methyl-1-[(4R)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137437820
tert-butyl (1R,5S)-3-[5-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 153308152
tert-butyl 5-[5-(4-chloro-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate
CID 136656618
tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439750
tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142520672
tert-butyl (2R,4R)-4-(4-aminophenyl)-2-methylpiperidine-1-carboxylate
CID 97305072
tert-butyl 3-[5-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 130454511

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane (CID 142520790) is tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane is CC.C[C@@H]1C[C@H](c2noc(-c3ccc4c(c3)N(C3CCC3)NC4)n2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane?
The InChIKey is QBYSBBGQOPBPAM-QNBGGDODSA-N. The full InChI is InChI=1S/C24H33N5O3.C2H6/c1-15-12-16(10-11-28(15)23(30)31-24(2,3)4)21-26-22(32-27-21)17-8-9-18-14-25-29(20(18)13-17)19-6-5-7-19;1-2/h8-9,13,15-16,19,25H,5-7,10-12,14H2,1-4H3;1-2H3/t15-,16-;/m1./s1.
What are the key properties of tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane?
tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane has a molecular weight of 469.63 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate;ethane is sourced from PubChem (CID 142520790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).