[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C11H15N3O2 — CID 59361676

IUPAC[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H15N3O2/c1-7-10(16-6-13-7)11(15)14-4-8-2-9(5-14)12-3-8/h6,8-9,12H,2-5H2,1H3/t8-,9-/m0/s1
InChIKeyYFJOGJWMVNXDNT-IUCAKERBSA-N
MW221.26 g/mol
LogP0.42
Rot. Bonds1

About [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 59361676) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID59361676
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H15N3O2/c1-7-10(16-6-13-7)11(15)14-4-8-2-9(5-14)12-3-8/h6,8-9,12H,2-5H2,1H3/t8-,9-/m0/s1
InChIKeyYFJOGJWMVNXDNT-IUCAKERBSA-N
XLogP0.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255
N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 110133085
(4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 59361697
[(3aS,9aR)-5,8-difluoro-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrol-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 128892695
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone
CID 67130677
5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octane-3-carbonyl]furan-3-carbonitrile
CID 59361674
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 112627373
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 79506581
[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119518888
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125012229
[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-[2-(methylsulfonylmethyl)phenyl]methanone
CID 125474467

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 59361676) is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1C[C@@H]2CN[C@@H](C2)C1.
What is the InChIKey of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is YFJOGJWMVNXDNT-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-10(16-6-13-7)11(15)14-4-8-2-9(5-14)12-3-8/h6,8-9,12H,2-5H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 59361676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).