N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride

C11H16Cl2N4O2 — CID 56924271

IUPACN-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride
SMILESCNC1CN(c2nc3ncccc3o2)CCO1.Cl.Cl
InChIInChI=1S/C11H14N4O2.2ClH/c1-12-9-7-15(5-6-16-9)11-14-10-8(17-11)3-2-4-13-10;;/h2-4,9,12H,5-7H2,1H3;2*1H
InChIKeyZLXPKLATIBMYSI-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.45
Rot. Bonds2

About N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride

N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride (PubChem CID 56924271) has the molecular formula C11H16Cl2N4O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride
PubChem CID56924271
Molecular FormulaC11H16Cl2N4O2
Molecular Weight307.18 g/mol
Exact Mass306.07
IUPAC NameN-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride
SMILESCNC1CN(c2nc3ncccc3o2)CCO1.Cl.Cl
InChIInChI=1S/C11H14N4O2.2ClH/c1-12-9-7-15(5-6-16-9)11-14-10-8(17-11)3-2-4-13-10;;/h2-4,9,12H,5-7H2,1H3;2*1H
InChIKeyZLXPKLATIBMYSI-UHFFFAOYSA-N
XLogP1.45
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride?
The IUPAC name of N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride (CID 56924271) is N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride.
What is the SMILES notation for N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride?
The canonical SMILES for N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride is CNC1CN(c2nc3ncccc3o2)CCO1.Cl.Cl.
What is the InChIKey of N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride?
The InChIKey is ZLXPKLATIBMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2.2ClH/c1-12-9-7-15(5-6-16-9)11-14-10-8(17-11)3-2-4-13-10;;/h2-4,9,12H,5-7H2,1H3;2*1H.
What are the key properties of N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride?
N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride has a molecular weight of 307.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride is sourced from PubChem (CID 56924271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).