(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one

C15H20N4O3 — CID 139359950

IUPAC(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one
SMILESO=C1N(O)[C@H]2CN1[C@H](c1nnc(C3CCCC3)o1)CC21CC1
InChIInChI=1S/C15H20N4O3/c20-14-18-8-11(19(14)21)15(5-6-15)7-10(18)13-17-16-12(22-13)9-3-1-2-4-9/h9-11,21H,1-8H2/t10-,11-/m0/s1
InChIKeyRWUPAUUOWNVEHY-QWRGUYRKSA-N
MW304.35 g/mol
LogP2.45
Rot. Bonds2

About (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one

(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one (PubChem CID 139359950) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one
PubChem CID139359950
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one
SMILESO=C1N(O)[C@H]2CN1[C@H](c1nnc(C3CCCC3)o1)CC21CC1
InChIInChI=1S/C15H20N4O3/c20-14-18-8-11(19(14)21)15(5-6-15)7-10(18)13-17-16-12(22-13)9-3-1-2-4-9/h9-11,21H,1-8H2/t10-,11-/m0/s1
InChIKeyRWUPAUUOWNVEHY-QWRGUYRKSA-N
XLogP2.45
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one with MolForge

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Related Compounds

(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 153017915
[(2S,5R)-2-[5-[(1S)-2-amino-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate
CID 155337706
[(2S,5R)-2-[5-[1-[(diaminomethylideneamino)methyl]cyclopropyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate
CID 155337637
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
CID 154743934
[(2S,5R)-2-[5-[2-amino-5-hydroxy-1-(methylaminomethyl)-4,5-dihydroimidazol-4-yl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate
CID 155337768
(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 122595100
(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 147273278
tert-butyl (2S,4R)-2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylpyrrolidine-1-carboxylate
CID 159284436
2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 128991904
tert-butyl N-[N'-[1-[[5-(6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 123596733
2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 129486644
2-bromo-5-cyclooctyl-1,3,4-oxadiazole
CID 114771199

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one?
The IUPAC name of (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one (CID 139359950) is (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one.
What is the SMILES notation for (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one?
The canonical SMILES for (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one is O=C1N(O)[C@H]2CN1[C@H](c1nnc(C3CCCC3)o1)CC21CC1.
What is the InChIKey of (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one?
The InChIKey is RWUPAUUOWNVEHY-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-14-18-8-11(19(14)21)15(5-6-15)7-10(18)13-17-16-12(22-13)9-3-1-2-4-9/h9-11,21H,1-8H2/t10-,11-/m0/s1.
What are the key properties of (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one?
(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one has a molecular weight of 304.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one is sourced from PubChem (CID 139359950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).