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

C21H23N5O5S — CID 154826503

IUPAC5-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
SMILESO=C1N=C2C=CC(S(=O)(=O)N3[C@@H]4CC[C@H]3CC(NC(=O)c3cc(C5CC5)on3)C4)C=C2N1
InChIInChI=1S/C21H23N5O5S/c27-20(18-10-19(31-25-18)11-1-2-11)22-12-7-13-3-4-14(8-12)26(13)32(29,30)15-5-6-16-17(9-15)24-21(28)23-16/h5-6,9-15H,1-4,7-8H2,(H,22,27)(H,24,28)/t12?,13-,14+,15?
InChIKeyAZPLNSSQPKYKMI-HFDVOGEKSA-N
MW457.51 g/mol
LogP1.59
Rot. Bonds5

About 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

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 (PubChem CID 154826503) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID154826503
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC Name5-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
SMILESO=C1N=C2C=CC(S(=O)(=O)N3[C@@H]4CC[C@H]3CC(NC(=O)c3cc(C5CC5)on3)C4)C=C2N1
InChIInChI=1S/C21H23N5O5S/c27-20(18-10-19(31-25-18)11-1-2-11)22-12-7-13-3-4-14(8-12)26(13)32(29,30)15-5-6-16-17(9-15)24-21(28)23-16/h5-6,9-15H,1-4,7-8H2,(H,22,27)(H,24,28)/t12?,13-,14+,15?
InChIKeyAZPLNSSQPKYKMI-HFDVOGEKSA-N
XLogP1.59
TPSA133.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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
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
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233
5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
CID 153455640
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
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
5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 130188063
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-[(2,2-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1N=C2C=CC(S(=O)(=O)N3[C@@H]4CC[C@H]3CC(NC(=O)c3cc(C5CC5)on3)C4)C=C2N1.
What is the InChIKey of 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?
The InChIKey is AZPLNSSQPKYKMI-HFDVOGEKSA-N. The full InChI is InChI=1S/C21H23N5O5S/c27-20(18-10-19(31-25-18)11-1-2-11)22-12-7-13-3-4-14(8-12)26(13)32(29,30)15-5-6-16-17(9-15)24-21(28)23-16/h5-6,9-15H,1-4,7-8H2,(H,22,27)(H,24,28)/t12?,13-,14+,15?.
What are the key properties of 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?
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 has a molecular weight of 457.51 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154826503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).