N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide

C21H30N4O5S — CID 177148687

IUPACN-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)N1C2CCCC1CC2)c1cc(C2COC2)on1
InChIInChI=1S/C21H30N4O5S/c26-21(19-10-20(30-23-19)13-11-29-12-13)22-14-8-17-6-7-18(9-14)25(17)31(27,28)24-15-2-1-3-16(24)5-4-15/h10,13-18H,1-9,11-12H2,(H,22,26)/t15?,16?,17-,18-/m0/s1
InChIKeyLXYGNTOUZCZWBZ-FOIPXRHGSA-N
MW450.56 g/mol
LogP1.78
Rot. Bonds5

About N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide

N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 177148687) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID177148687
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC NameN-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)N1C2CCCC1CC2)c1cc(C2COC2)on1
InChIInChI=1S/C21H30N4O5S/c26-21(19-10-20(30-23-19)13-11-29-12-13)22-14-8-17-6-7-18(9-14)25(17)31(27,28)24-15-2-1-3-16(24)5-4-15/h10,13-18H,1-9,11-12H2,(H,22,26)/t15?,16?,17-,18-/m0/s1
InChIKeyLXYGNTOUZCZWBZ-FOIPXRHGSA-N
XLogP1.78
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

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
N-[(1R,5S)-8-[(2-iodo-2,7-diazaspiro[3.4]octan-7-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148490
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
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
5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
CID 153455640
N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148692
N-[8-[[3-[(4-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148497
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-[(2,2-difluorocyclopropyl)methyl]cyclohexanamine;N-(8-methylsulfanyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148519
5-cyclopropyl-N-[(1S,5R)-8-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 154826503

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide (CID 177148687) is N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide is O=C(NC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)N1C2CCCC1CC2)c1cc(C2COC2)on1.
What is the InChIKey of N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LXYGNTOUZCZWBZ-FOIPXRHGSA-N. The full InChI is InChI=1S/C21H30N4O5S/c26-21(19-10-20(30-23-19)13-11-29-12-13)22-14-8-17-6-7-18(9-14)25(17)31(27,28)24-15-2-1-3-16(24)5-4-15/h10,13-18H,1-9,11-12H2,(H,22,26)/t15?,16?,17-,18-/m0/s1.
What are the key properties of N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide?
N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 177148687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).