(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride

C7H12ClN3O2 — CID 70871863

IUPAC(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](c2ncon2)OC1
InChIInChI=1S/C7H11N3O2.ClH/c8-5-1-2-6(11-3-5)7-9-4-12-10-7;/h4-6H,1-3,8H2;1H/t5-,6+;/m1./s1
InChIKeyOXKSWFGZVZYSBP-IBTYICNHSA-N
MW205.65 g/mol
LogP0.67
Rot. Bonds1

About (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride

(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride (PubChem CID 70871863) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride
PubChem CID70871863
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](c2ncon2)OC1
InChIInChI=1S/C7H11N3O2.ClH/c8-5-1-2-6(11-3-5)7-9-4-12-10-7;/h4-6H,1-3,8H2;1H/t5-,6+;/m1./s1
InChIKeyOXKSWFGZVZYSBP-IBTYICNHSA-N
XLogP0.67
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride?
The IUPAC name of (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride (CID 70871863) is (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride.
What is the SMILES notation for (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride?
The canonical SMILES for (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride is Cl.N[C@@H]1CC[C@@H](c2ncon2)OC1.
What is the InChIKey of (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride?
The InChIKey is OXKSWFGZVZYSBP-IBTYICNHSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c8-5-1-2-6(11-3-5)7-9-4-12-10-7;/h4-6H,1-3,8H2;1H/t5-,6+;/m1./s1.
What are the key properties of (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride?
(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine;hydrochloride is sourced from PubChem (CID 70871863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).