4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine

C11H16N2O — CID 175787974

IUPAC4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine
SMILESNC12CCC(c3ccno3)(CC1)CC2
InChIInChI=1S/C11H16N2O/c12-11-5-2-10(3-6-11,4-7-11)9-1-8-13-14-9/h1,8H,2-7,12H2
InChIKeyKVCFWFWHIIJZBI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.98
Rot. Bonds1

About 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine

4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine (PubChem CID 175787974) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine
PubChem CID175787974
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine
SMILESNC12CCC(c3ccno3)(CC1)CC2
InChIInChI=1S/C11H16N2O/c12-11-5-2-10(3-6-11,4-7-11)9-1-8-13-14-9/h1,8H,2-7,12H2
InChIKeyKVCFWFWHIIJZBI-UHFFFAOYSA-N
XLogP1.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine (CID 175787974) is 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine is NC12CCC(c3ccno3)(CC1)CC2.
What is the InChIKey of 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine?
The InChIKey is KVCFWFWHIIJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11-5-2-10(3-6-11,4-7-11)9-1-8-13-14-9/h1,8H,2-7,12H2.
What are the key properties of 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine?
4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine has a molecular weight of 192.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 175787974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).