9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

C16H22N2O2 — CID 119042459

IUPAC9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC2CCCCCCC21
InChIInChI=1S/C16H22N2O2/c19-16(13-9-15(20-17-13)11-7-8-11)18-10-12-5-3-1-2-4-6-14(12)18/h9,11-12,14H,1-8,10H2
InChIKeyJFXAVAUIZLWAPQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.35
Rot. Bonds2

About 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 119042459) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID119042459
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC2CCCCCCC21
InChIInChI=1S/C16H22N2O2/c19-16(13-9-15(20-17-13)11-7-8-11)18-10-12-5-3-1-2-4-6-14(12)18/h9,11-12,14H,1-8,10H2
InChIKeyJFXAVAUIZLWAPQ-UHFFFAOYSA-N
XLogP3.35
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone
CID 167762565
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171398
(5-cyclopropyl-1,2-oxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 22427513
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
1-(5-cyclohexyl-1,2-oxazol-3-yl)ethanone
CID 115094361
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331727
methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410330
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685159
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 119042459) is 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(C2CC2)on1)N1CC2CCCCCCC21.
What is the InChIKey of 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is JFXAVAUIZLWAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(13-9-15(20-17-13)11-7-8-11)18-10-12-5-3-1-2-4-6-14(12)18/h9,11-12,14H,1-8,10H2.
What are the key properties of 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 119042459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).