(3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride

C5H11Cl2N3O2 — CID 172907589

IUPAC(3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride
SMILESCl.Cl.NC1=N[C@H]2OC[C@@H](N)[C@H]2O1
InChIInChI=1S/C5H9N3O2.2ClH/c6-2-1-9-4-3(2)10-5(7)8-4;;/h2-4H,1,6H2,(H2,7,8);2*1H/t2-,3-,4+;;/m1../s1
InChIKeyDXAMZXMQOUFPSX-FLAXPJCKSA-N
MW216.07 g/mol
LogP-0.77
Rot. Bonds

About (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride

(3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride (PubChem CID 172907589) has the molecular formula C5H11Cl2N3O2 and a molecular weight of 216.07 g/mol. Its IUPAC name is (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride.

Molecular Properties

Compound Name(3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride
PubChem CID172907589
Molecular FormulaC5H11Cl2N3O2
Molecular Weight216.07 g/mol
Exact Mass215.02
IUPAC Name(3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride
SMILESCl.Cl.NC1=N[C@H]2OC[C@@H](N)[C@H]2O1
InChIInChI=1S/C5H9N3O2.2ClH/c6-2-1-9-4-3(2)10-5(7)8-4;;/h2-4H,1,6H2,(H2,7,8);2*1H/t2-,3-,4+;;/m1../s1
InChIKeyDXAMZXMQOUFPSX-FLAXPJCKSA-N
XLogP-0.77
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride?
The IUPAC name of (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride (CID 172907589) is (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride.
What is the SMILES notation for (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride?
The canonical SMILES for (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride is Cl.Cl.NC1=N[C@H]2OC[C@@H](N)[C@H]2O1.
What is the InChIKey of (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride?
The InChIKey is DXAMZXMQOUFPSX-FLAXPJCKSA-N. The full InChI is InChI=1S/C5H9N3O2.2ClH/c6-2-1-9-4-3(2)10-5(7)8-4;;/h2-4H,1,6H2,(H2,7,8);2*1H/t2-,3-,4+;;/m1../s1.
What are the key properties of (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride?
(3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride has a molecular weight of 216.07 g/mol, XLogP of -0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride is sourced from PubChem (CID 172907589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).