3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone

C12H17N3O2 — CID 59268944

IUPAC3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC3CNCC(C3)C2)no1
InChIInChI=1S/C12H17N3O2/c1-8-2-11(14-17-8)12(16)15-6-9-3-10(7-15)5-13-4-9/h2,9-10,13H,3-7H2,1H3
InChIKeyFQJXHZVBTSEHCO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.66
Rot. Bonds1

About 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone

3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 59268944) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID59268944
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC3CNCC(C3)C2)no1
InChIInChI=1S/C12H17N3O2/c1-8-2-11(14-17-8)12(16)15-6-9-3-10(7-15)5-13-4-9/h2,9-10,13H,3-7H2,1H3
InChIKeyFQJXHZVBTSEHCO-UHFFFAOYSA-N
XLogP0.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 118949515
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 2225426
N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide
CID 3245758
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 5307969
5-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5308762
N,N-dicyclohexyl[5-(methylethyl)isoxazol-3-yl]carboxamide
CID 17253281
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 72696253
(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
N-cyclohexyl-5-isopropylisoxazole-3-carboxamide
CID 3243071

Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone (CID 59268944) is 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC3CNCC(C3)C2)no1.
What is the InChIKey of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is FQJXHZVBTSEHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-2-11(14-17-8)12(16)15-6-9-3-10(7-15)5-13-4-9/h2,9-10,13H,3-7H2,1H3.
What are the key properties of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 59268944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).