5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine

C11H17N3O — CID 23375451

IUPAC5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc([C@]23CCCC[C@@H](CC2)C3)n1
InChIInChI=1S/C11H17N3O/c12-10-13-9(15-14-10)11-5-2-1-3-8(7-11)4-6-11/h8H,1-7H2,(H2,12,14)/t8-,11+/m0/s1
InChIKeyBDTXJWVBGPUCGX-GZMMTYOYSA-N
MW207.28 g/mol
LogP2.26
Rot. Bonds1

About 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine

5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine (PubChem CID 23375451) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine
PubChem CID23375451
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc([C@]23CCCC[C@@H](CC2)C3)n1
InChIInChI=1S/C11H17N3O/c12-10-13-9(15-14-10)11-5-2-1-3-8(7-11)4-6-11/h8H,1-7H2,(H2,12,14)/t8-,11+/m0/s1
InChIKeyBDTXJWVBGPUCGX-GZMMTYOYSA-N
XLogP2.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine (CID 23375451) is 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine is Nc1noc([C@]23CCCC[C@@H](CC2)C3)n1.
What is the InChIKey of 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is BDTXJWVBGPUCGX-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-10-13-9(15-14-10)11-5-2-1-3-8(7-11)4-6-11/h8H,1-7H2,(H2,12,14)/t8-,11+/m0/s1.
What are the key properties of 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine?
5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 207.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,6S)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 23375451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).