8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H19N3OS — CID 61235190

IUPAC8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cc(-c2cccs2)on1
InChIInChI=1S/C15H19N3OS/c16-10-6-12-3-4-13(7-10)18(12)9-11-8-14(19-17-11)15-2-1-5-20-15/h1-2,5,8,10,12-13H,3-4,6-7,9,16H2
InChIKeyWZPTWNYWBKQGDA-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds3

About 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61235190) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61235190
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cc(-c2cccs2)on1
InChIInChI=1S/C15H19N3OS/c16-10-6-12-3-4-13(7-10)18(12)9-11-8-14(19-17-11)15-2-1-5-20-15/h1-2,5,8,10,12-13H,3-4,6-7,9,16H2
InChIKeyWZPTWNYWBKQGDA-UHFFFAOYSA-N
XLogP2.86
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61235190) is 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1cc(-c2cccs2)on1.
What is the InChIKey of 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WZPTWNYWBKQGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-10-6-12-3-4-13(7-10)18(12)9-11-8-14(19-17-11)15-2-1-5-20-15/h1-2,5,8,10,12-13H,3-4,6-7,9,16H2.
What are the key properties of 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 289.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61235190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).