(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one

C13H19N5O2 — CID 147273278

IUPAC(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCN1C(=O)N2C[C@H]1CC[C@H]2c1nnc(C2CC(N)C2)o1
InChIInChI=1S/C13H19N5O2/c1-17-9-2-3-10(18(6-9)13(17)19)12-16-15-11(20-12)7-4-8(14)5-7/h7-10H,2-6,14H2,1H3/t7?,8?,9-,10+/m1/s1
InChIKeyCQWAYGRFWMBVKJ-BMNUFHGDSA-N
MW277.33 g/mol
LogP0.85
Rot. Bonds2

About (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one

(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 147273278) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID147273278
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCN1C(=O)N2C[C@H]1CC[C@H]2c1nnc(C2CC(N)C2)o1
InChIInChI=1S/C13H19N5O2/c1-17-9-2-3-10(18(6-9)13(17)19)12-16-15-11(20-12)7-4-8(14)5-7/h7-10H,2-6,14H2,1H3/t7?,8?,9-,10+/m1/s1
InChIKeyCQWAYGRFWMBVKJ-BMNUFHGDSA-N
XLogP0.85
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one with MolForge

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Launch Full Analysis

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)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 118463444
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
[(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
(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 122595100
(2S,5R)-2-tert-butyl-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 158058958
(2S,5R)-6-methyl-2-[5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one
CID 157242106
(2S,5R)-2-[5-[2-(2-aminoethylamino)ethyl]-1,2-oxazol-3-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 158363536
tert-butyl 4-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 86701384
[(2S,5R)-2-[5-[(diaminomethylideneamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 71761200
[(2S,5R)-2-[5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 158927534

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (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) is (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one is CN1C(=O)N2C[C@H]1CC[C@H]2c1nnc(C2CC(N)C2)o1.
What is the InChIKey of (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is CQWAYGRFWMBVKJ-BMNUFHGDSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17-9-2-3-10(18(6-9)13(17)19)12-16-15-11(20-12)7-4-8(14)5-7/h7-10H,2-6,14H2,1H3/t7?,8?,9-,10+/m1/s1.
What are the key properties of (2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one?
(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 277.33 g/mol, XLogP of 0.85, 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-(3-aminocyclobutyl)-1,3,4-oxadiazol-2-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 147273278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).