3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone

C10H13N3O2 — CID 68600950

IUPAC3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CC2CNCCC21
InChIInChI=1S/C10H13N3O2/c14-10(8-2-4-15-12-8)13-6-7-5-11-3-1-9(7)13/h2,4,7,9,11H,1,3,5-6H2
InChIKeyNGBDJQITDWFUKP-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.11
Rot. Bonds1

About 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone

3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone (PubChem CID 68600950) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone
PubChem CID68600950
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CC2CNCCC21
InChIInChI=1S/C10H13N3O2/c14-10(8-2-4-15-12-8)13-6-7-5-11-3-1-9(7)13/h2,4,7,9,11H,1,3,5-6H2
InChIKeyNGBDJQITDWFUKP-UHFFFAOYSA-N
XLogP0.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 62671508
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl(1,2-oxazol-3-yl)methanone
CID 68602552
N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 62378974
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
benzyl (1S,6S)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate;benzyl (1R,6R)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 86222752
[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone
CID 128535857
(2S,3aR,7aR)-1-(1,2-oxazole-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129430578
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl-(3-bromo-1,2-oxazol-5-yl)methanone
CID 68602898
[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 80666279
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl-(5-methylfuran-2-yl)methanone
CID 68602478

Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone?
The IUPAC name of 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone (CID 68600950) is 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone?
The canonical SMILES for 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CC2CNCCC21.
What is the InChIKey of 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone?
The InChIKey is NGBDJQITDWFUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(8-2-4-15-12-8)13-6-7-5-11-3-1-9(7)13/h2,4,7,9,11H,1,3,5-6H2.
What are the key properties of 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone?
3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 68600950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).