tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate

C20H31N3O4 — CID 124734646

IUPACtert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate
SMILESCC(C)c1cc(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)no1
InChIInChI=1S/C20H31N3O4/c1-12(2)17-11-16(22-27-17)18(24)23-14-7-6-8-15(23)10-13(9-14)21-19(25)26-20(3,4)5/h11-15H,6-10H2,1-5H3,(H,21,25)/t14-,15-/m0/s1
InChIKeyMNNDOIFHYLFFSK-GJZGRUSLSA-N
MW377.49 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate

tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate (PubChem CID 124734646) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate
PubChem CID124734646
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Nametert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate
SMILESCC(C)c1cc(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)no1
InChIInChI=1S/C20H31N3O4/c1-12(2)17-11-16(22-27-17)18(24)23-14-7-6-8-15(23)10-13(9-14)21-19(25)26-20(3,4)5/h11-15H,6-10H2,1-5H3,(H,21,25)/t14-,15-/m0/s1
InChIKeyMNNDOIFHYLFFSK-GJZGRUSLSA-N
XLogP3.85
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate with MolForge

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Related Compounds

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
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 165141460
tert-butyl N-[8-(3-bromo-4-chlorobenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 135339471
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
tert-butyl (5R)-3-[(5-cyano-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 177148470
tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate
CID 58235997
methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate
CID 168885407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate (CID 124734646) is tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate is CC(C)c1cc(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)no1.
What is the InChIKey of tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate?
The InChIKey is MNNDOIFHYLFFSK-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-12(2)17-11-16(22-27-17)18(24)23-14-7-6-8-15(23)10-13(9-14)21-19(25)26-20(3,4)5/h11-15H,6-10H2,1-5H3,(H,21,25)/t14-,15-/m0/s1.
What are the key properties of tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate?
tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate has a molecular weight of 377.49 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate is sourced from PubChem (CID 124734646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).