5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole

C11H16N2O — CID 19432892

IUPAC5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole
SMILESCCc1ncc(C2CN3CCC2C3)o1
InChIInChI=1S/C11H16N2O/c1-2-11-12-5-10(14-11)9-7-13-4-3-8(9)6-13/h5,8-9H,2-4,6-7H2,1H3
InChIKeyXJJUTSGPIHWBKM-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.66
Rot. Bonds2

About 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole

5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole (PubChem CID 19432892) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole
PubChem CID19432892
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole
SMILESCCc1ncc(C2CN3CCC2C3)o1
InChIInChI=1S/C11H16N2O/c1-2-11-12-5-10(14-11)9-7-13-4-3-8(9)6-13/h5,8-9H,2-4,6-7H2,1H3
InChIKeyXJJUTSGPIHWBKM-UHFFFAOYSA-N
XLogP1.66
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19432891
(3R)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71454461
(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 15750214
3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784182
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
(4S)-3-(4-ethylpyrazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 84663558
(3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 15750216
4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine
CID 19018574
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 19886304
[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine
CID 79763380
5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole
CID 164654906
5-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65179762

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole?
The IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole (CID 19432892) is 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole is CCc1ncc(C2CN3CCC2C3)o1.
What is the InChIKey of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole?
The InChIKey is XJJUTSGPIHWBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-11-12-5-10(14-11)9-7-13-4-3-8(9)6-13/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole?
5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole has a molecular weight of 192.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole is sourced from PubChem (CID 19432892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).