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

C12H17N3O3 — CID 24945460

IUPAC3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CC3CNCC(C3)C2)on1
InChIInChI=1S/C12H17N3O3/c1-17-11-3-10(18-14-11)12(16)15-6-8-2-9(7-15)5-13-4-8/h3,8-9,13H,2,4-7H2,1H3
InChIKeyRCDYEIPQLIIGIL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.36
Rot. Bonds2

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

3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 24945460) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID24945460
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CC3CNCC(C3)C2)on1
InChIInChI=1S/C12H17N3O3/c1-17-11-3-10(18-14-11)12(16)15-6-8-2-9(7-15)5-13-4-8/h3,8-9,13H,2,4-7H2,1H3
InChIKeyRCDYEIPQLIIGIL-UHFFFAOYSA-N
XLogP0.36
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 24945460) is 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)N2CC3CNCC(C3)C2)on1.
What is the InChIKey of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is RCDYEIPQLIIGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11-3-10(18-14-11)12(16)15-6-8-2-9(7-15)5-13-4-8/h3,8-9,13H,2,4-7H2,1H3.
What are the key properties of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 24945460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).