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

C8H13ClN2O2 — CID 135307753

IUPAC(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](c2cnco2)OC1
InChIInChI=1S/C8H12N2O2.ClH/c9-6-1-2-7(11-4-6)8-3-10-5-12-8;/h3,5-7H,1-2,4,9H2;1H/t6-,7+;/m1./s1
InChIKeyRKTZDJYSJQNSEA-HHQFNNIRSA-N
MW204.66 g/mol
LogP1.28
Rot. Bonds1

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

(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride (PubChem CID 135307753) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride
PubChem CID135307753
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](c2cnco2)OC1
InChIInChI=1S/C8H12N2O2.ClH/c9-6-1-2-7(11-4-6)8-3-10-5-12-8;/h3,5-7H,1-2,4,9H2;1H/t6-,7+;/m1./s1
InChIKeyRKTZDJYSJQNSEA-HHQFNNIRSA-N
XLogP1.28
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.28
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;hydrochloride?
The IUPAC name of (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride (CID 135307753) is (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride.
What is the SMILES notation for (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride?
The canonical SMILES for (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride is Cl.N[C@@H]1CC[C@@H](c2cnco2)OC1.
What is the InChIKey of (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride?
The InChIKey is RKTZDJYSJQNSEA-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c9-6-1-2-7(11-4-6)8-3-10-5-12-8;/h3,5-7H,1-2,4,9H2;1H/t6-,7+;/m1./s1.
What are the key properties of (3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride?
(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 1.28, 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;hydrochloride is sourced from PubChem (CID 135307753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).