3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone

C11H15N3O2 — CID 68602310

IUPAC3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1nocc1C(=O)N1CCC2CNC2C1
InChIInChI=1S/C11H15N3O2/c1-7-9(6-16-13-7)11(15)14-3-2-8-4-12-10(8)5-14/h6,8,10,12H,2-5H2,1H3
InChIKeyJWUWCHDWRIWVSA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.42
Rot. Bonds1

About 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone

3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 68602310) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone
PubChem CID68602310
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1nocc1C(=O)N1CCC2CNC2C1
InChIInChI=1S/C11H15N3O2/c1-7-9(6-16-13-7)11(15)14-3-2-8-4-12-10(8)5-14/h6,8,10,12H,2-5H2,1H3
InChIKeyJWUWCHDWRIWVSA-UHFFFAOYSA-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

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Related Compounds

3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 68601554
[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 67982851
[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;hydrochloride
CID 67982219
3,8-diazabicyclo[4.2.0]octan-3-yl-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 67983150
(3-ethylsulfanylazepan-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 126839952
ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 110853959
[(6S)-3,8-diazabicyclo[4.2.0]octan-3-yl]-[2-fluoro-3-methyl-6-(triazol-2-yl)phenyl]methanone;hydrochloride
CID 67983069
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 68933445
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate;tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 86222703
1-[(3aS,6aR)-5-(3-methyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)propan-1-one
CID 166331174
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68602065

Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone (CID 68602310) is 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone is Cc1nocc1C(=O)N1CCC2CNC2C1.
What is the InChIKey of 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is JWUWCHDWRIWVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-9(6-16-13-7)11(15)14-3-2-8-4-12-10(8)5-14/h6,8,10,12H,2-5H2,1H3.
What are the key properties of 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone?
3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-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 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 68602310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).