4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole

C11H14N2O — CID 57485715

IUPAC4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole
SMILESC1=C(c2cnoc2)C2CNCC(C1)C2
InChIInChI=1S/C11H14N2O/c1-2-11(10-6-13-14-7-10)9-3-8(1)4-12-5-9/h2,6-9,12H,1,3-5H2
InChIKeySVKFQORXKZSNBU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.69
Rot. Bonds1

About 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole

4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole (PubChem CID 57485715) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole
PubChem CID57485715
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole
SMILESC1=C(c2cnoc2)C2CNCC(C1)C2
InChIInChI=1S/C11H14N2O/c1-2-11(10-6-13-14-7-10)9-3-8(1)4-12-5-9/h2,6-9,12H,1,3-5H2
InChIKeySVKFQORXKZSNBU-UHFFFAOYSA-N
XLogP1.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
CID 57485529
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486280
6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486305
6-methyl-3-azabicyclo[3.3.1]non-6-ene
CID 71325236
3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene
CID 57485534
4-cyclopentyl-1,2-oxazole
CID 142450093
4-(1,3,5-triazin-2-yl)-1,2-oxazole
CID 54238777
2-(6-chloro-3-pyridinyl)-6-azabicyclo[3.2.1]oct-2-ene
CID 57486326
4-(6-chloro-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene
CID 57486329
6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene
CID 57485680
4-methyl-5-(1,2-oxazol-4-yl)-2,7-dihydro-1H-1,4-diazepin-3-one
CID 175873284
4-cyclopentyl-1,2-oxazole;ethane
CID 142450092

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole?
The IUPAC name of 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole (CID 57485715) is 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole.
What is the SMILES notation for 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole?
The canonical SMILES for 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole is C1=C(c2cnoc2)C2CNCC(C1)C2.
What is the InChIKey of 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole?
The InChIKey is SVKFQORXKZSNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-11(10-6-13-14-7-10)9-3-8(1)4-12-5-9/h2,6-9,12H,1,3-5H2.
What are the key properties of 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole?
4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole has a molecular weight of 190.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole is sourced from PubChem (CID 57485715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).