tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate

C24H37N5O6S — CID 118947331

IUPACtert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1
InChIInChI=1S/C24H37N5O6S/c1-24(2,3)34-23(31)26-16-8-10-28(11-9-16)36(32,33)29-18-6-7-19(29)13-17(12-18)25-22(30)20-14-21(35-27-20)15-4-5-15/h14-19H,4-13H2,1-3H3,(H,25,30)(H,26,31)/t17?,18-,19+
InChIKeyKTQJGZIDAYDZDN-YQQQUEKLSA-N
MW523.66 g/mol
LogP2.51
Rot. Bonds6

About tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate (PubChem CID 118947331) has the molecular formula C24H37N5O6S and a molecular weight of 523.66 g/mol. Its IUPAC name is tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate
PubChem CID118947331
Molecular FormulaC24H37N5O6S
Molecular Weight523.66 g/mol
Exact Mass523.25
IUPAC Nametert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1
InChIInChI=1S/C24H37N5O6S/c1-24(2,3)34-23(31)26-16-8-10-28(11-9-16)36(32,33)29-18-6-7-19(29)13-17(12-18)25-22(30)20-14-21(35-27-20)15-4-5-15/h14-19H,4-13H2,1-3H3,(H,25,30)(H,26,31)/t17?,18-,19+
InChIKeyKTQJGZIDAYDZDN-YQQQUEKLSA-N
XLogP2.51
TPSA134.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

N-[(1S,5R)-8-(8-azaspiro[4.5]decan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 161049537
5-cyclopropyl-N-[(1R,5S)-8-[4-(5,5,5-trifluoropentyl)piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 148576255
tert-butyl (1S,5R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 118947354
tert-butyl (5R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 159414061
N-[8-[[3-(2-hydroxyethylamino)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148443
5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 148506563
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 118947483
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
5-cyclopropyl-N-[1-[[4-(dimethylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155527784
5-cyclopropyl-N-[(2S,4R)-2-methyl-1-(2-methylpropylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040369
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate (CID 118947331) is tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(C4CC4)on2)C3)CC1.
What is the InChIKey of tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate?
The InChIKey is KTQJGZIDAYDZDN-YQQQUEKLSA-N. The full InChI is InChI=1S/C24H37N5O6S/c1-24(2,3)34-23(31)26-16-8-10-28(11-9-16)36(32,33)29-18-6-7-19(29)13-17(12-18)25-22(30)20-14-21(35-27-20)15-4-5-15/h14-19H,4-13H2,1-3H3,(H,25,30)(H,26,31)/t17?,18-,19+.
What are the key properties of tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate has a molecular weight of 523.66 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 118947331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).