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

C7H11N3O2 — CID 70871864

IUPAC(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine
SMILESN[C@@H]1CC[C@@H](c2ncon2)OC1
InChIInChI=1S/C7H11N3O2/c8-5-1-2-6(11-3-5)7-9-4-12-10-7/h4-6H,1-3,8H2/t5-,6+/m1/s1
InChIKeyNZZSAXGILBEKRM-RITPCOANSA-N
MW169.18 g/mol
LogP0.25
Rot. Bonds1

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

(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine (PubChem CID 70871864) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine
PubChem CID70871864
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine
SMILESN[C@@H]1CC[C@@H](c2ncon2)OC1
InChIInChI=1S/C7H11N3O2/c8-5-1-2-6(11-3-5)7-9-4-12-10-7/h4-6H,1-3,8H2/t5-,6+/m1/s1
InChIKeyNZZSAXGILBEKRM-RITPCOANSA-N
XLogP0.25
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.25
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?
The IUPAC name of (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine (CID 70871864) is (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine?
The canonical SMILES for (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine is 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?
The InChIKey is NZZSAXGILBEKRM-RITPCOANSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-5-1-2-6(11-3-5)7-9-4-12-10-7/h4-6H,1-3,8H2/t5-,6+/m1/s1.
What are the key properties of (3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine?
(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-amine has a molecular weight of 169.18 g/mol, XLogP of 0.25, 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 is sourced from PubChem (CID 70871864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).