(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine

C8H12N2O2 — CID 135307754

IUPAC(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine
SMILESN[C@@H]1CC[C@@H](c2cnco2)OC1
InChIInChI=1S/C8H12N2O2/c9-6-1-2-7(11-4-6)8-3-10-5-12-8/h3,5-7H,1-2,4,9H2/t6-,7+/m1/s1
InChIKeyVPEJVDFDYYMDFC-RQJHMYQMSA-N
MW168.20 g/mol
LogP0.85
Rot. Bonds1

About (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine

(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine (PubChem CID 135307754) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine
PubChem CID135307754
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine
SMILESN[C@@H]1CC[C@@H](c2cnco2)OC1
InChIInChI=1S/C8H12N2O2/c9-6-1-2-7(11-4-6)8-3-10-5-12-8/h3,5-7H,1-2,4,9H2/t6-,7+/m1/s1
InChIKeyVPEJVDFDYYMDFC-RQJHMYQMSA-N
XLogP0.85
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine?
The IUPAC name of (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine (CID 135307754) is (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine?
The canonical SMILES for (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine is N[C@@H]1CC[C@@H](c2cnco2)OC1.
What is the InChIKey of (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine?
The InChIKey is VPEJVDFDYYMDFC-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-6-1-2-7(11-4-6)8-3-10-5-12-8/h3,5-7H,1-2,4,9H2/t6-,7+/m1/s1.
What are the key properties of (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine?
(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine has a molecular weight of 168.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine is sourced from PubChem (CID 135307754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).