(3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride

C5H9ClN2O2 — CID 21292276

IUPAC(3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCOc1cc(CN)on1.Cl
InChIInChI=1S/C5H8N2O2.ClH/c1-8-5-2-4(3-6)9-7-5;/h2H,3,6H2,1H3;1H
InChIKeyAHQBCIYYGDJUFX-UHFFFAOYSA-N
MW164.59 g/mol
LogP0.56
Rot. Bonds2

About (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride

(3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 21292276) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride
PubChem CID21292276
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC Name(3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCOc1cc(CN)on1.Cl
InChIInChI=1S/C5H8N2O2.ClH/c1-8-5-2-4(3-6)9-7-5;/h2H,3,6H2,1H3;1H
InChIKeyAHQBCIYYGDJUFX-UHFFFAOYSA-N
XLogP0.56
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 12313010
CID 12313010
3-Methoxy-5-isoxazolemethanamine
CID 2763227
3-Methoxy-5-methylisoxazole
CID 11768539
N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458636
3-(Difluoromethoxy)-5-methyl-1,2-oxazole
CID 168169117
2-[[5-(Trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine
CID 174392501
[5-(Aminomethyl)-1,2-oxazol-3-yl] propanoate
CID 21948250
2-Fluoro-2-(3-methoxy-1,2-oxazol-5-yl)ethan-1-amine
CID 165613026
2,2,2-Trifluoro-1-(3-methoxy-1,2-oxazol-5-yl)ethan-1-amine
CID 165850278
2,2-Difluoro-1-(3-methoxy-1,2-oxazol-5-yl)ethan-1-amine
CID 165980464
3-Ethoxy-5-methylisoxazole
CID 11332469
1-(3-Methoxyisoxazol-5-YL)ethan-1-amine
CID 12196363

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride (CID 21292276) is (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride is COc1cc(CN)on1.Cl.
What is the InChIKey of (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride?
The InChIKey is AHQBCIYYGDJUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.ClH/c1-8-5-2-4(3-6)9-7-5;/h2H,3,6H2,1H3;1H.
What are the key properties of (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride?
(3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 164.59 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 21292276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).