tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate

C16H25N5O5 — CID 118518757

IUPACtert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate
SMILESCN(CCc1nnc([C@@H]2CCC3CN2C(=O)N3O)o1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N5O5/c1-16(2,3)26-15(23)19(4)8-7-12-17-18-13(25-12)11-6-5-10-9-20(11)14(22)21(10)24/h10-11,24H,5-9H2,1-4H3/t10?,11-/m0/s1
InChIKeyQHYYUBHUMFLZSX-DTIOYNMSSA-N
MW367.41 g/mol
LogP1.81
Rot. Bonds4

About tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate (PubChem CID 118518757) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate
PubChem CID118518757
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC Nametert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate
SMILESCN(CCc1nnc([C@@H]2CCC3CN2C(=O)N3O)o1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N5O5/c1-16(2,3)26-15(23)19(4)8-7-12-17-18-13(25-12)11-6-5-10-9-20(11)14(22)21(10)24/h10-11,24H,5-9H2,1-4H3/t10?,11-/m0/s1
InChIKeyQHYYUBHUMFLZSX-DTIOYNMSSA-N
XLogP1.81
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-[[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-[1-[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl]azetidin-3-yl]carbamate
CID 160533804
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
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
(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 153017915
tert-butyl N-[3-[5-(6,7-dihydroxy-1,6-diazabicyclo[3.2.1]octan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]carbamate
CID 123621166
(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 122595100
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-N-[[5-(7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 123562210
tert-butyl 3-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate
CID 86701054
[(2R,5S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 90073891
[(2R,5R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 140636946
tert-butyl N-[[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 122525492
tert-butyl N-[[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 118016875

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate (CID 118518757) is tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate is CN(CCc1nnc([C@@H]2CCC3CN2C(=O)N3O)o1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate?
The InChIKey is QHYYUBHUMFLZSX-DTIOYNMSSA-N. The full InChI is InChI=1S/C16H25N5O5/c1-16(2,3)26-15(23)19(4)8-7-12-17-18-13(25-12)11-6-5-10-9-20(11)14(22)21(10)24/h10-11,24H,5-9H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate has a molecular weight of 367.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 118518757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).