3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

C16H18N4O2 — CID 119639120

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)on1)N1CCC2CCC(C1)N2
InChIInChI=1S/C16H18N4O2/c21-16(20-8-5-12-1-2-13(10-20)18-12)14-9-15(22-19-14)11-3-6-17-7-4-11/h3-4,6-7,9,12-13,18H,1-2,5,8,10H2
InChIKeyYOUNBDQEKKRGGH-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.70
Rot. Bonds2

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (PubChem CID 119639120) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
PubChem CID119639120
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)on1)N1CCC2CCC(C1)N2
InChIInChI=1S/C16H18N4O2/c21-16(20-8-5-12-1-2-13(10-20)18-12)14-9-15(22-19-14)11-3-6-17-7-4-11/h3-4,6-7,9,12-13,18H,1-2,5,8,10H2
InChIKeyYOUNBDQEKKRGGH-UHFFFAOYSA-N
XLogP1.70
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

(3-hydroxypiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 110899930
[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 119648082
3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone
CID 171922173
[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 112838896
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 146230021
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119639342
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119636471
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
[3-(fluoromethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 163351427
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R)-3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124862214

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (CID 119639120) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccncc2)on1)N1CCC2CCC(C1)N2.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is YOUNBDQEKKRGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(20-8-5-12-1-2-13(10-20)18-12)14-9-15(22-19-14)11-3-6-17-7-4-11/h3-4,6-7,9,12-13,18H,1-2,5,8,10H2.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 119639120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).