(3-methoxy-1,2-oxazol-5-yl)methylazanium

C5H9N2O2+ — CID 7127180

IUPAC(3-methoxy-1,2-oxazol-5-yl)methylazanium
SMILESCOc1cc(C[NH3+])on1
InChIInChI=1S/C5H8N2O2/c1-8-5-2-4(3-6)9-7-5/h2H,3,6H2,1H3/p+1
InChIKeyIVMFFAPHOPXMAD-UHFFFAOYSA-O
MW129.14 g/mol
LogP-0.57
Rot. Bonds2

About (3-methoxy-1,2-oxazol-5-yl)methylazanium

(3-methoxy-1,2-oxazol-5-yl)methylazanium (PubChem CID 7127180) has the molecular formula C5H9N2O2+ and a molecular weight of 129.14 g/mol. Its IUPAC name is (3-methoxy-1,2-oxazol-5-yl)methylazanium.

Molecular Properties

Compound Name(3-methoxy-1,2-oxazol-5-yl)methylazanium
PubChem CID7127180
Molecular FormulaC5H9N2O2+
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name(3-methoxy-1,2-oxazol-5-yl)methylazanium
SMILESCOc1cc(C[NH3+])on1
InChIInChI=1S/C5H8N2O2/c1-8-5-2-4(3-6)9-7-5/h2H,3,6H2,1H3/p+1
InChIKeyIVMFFAPHOPXMAD-UHFFFAOYSA-O
XLogP-0.57
TPSA62.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-oxazol-5-yl)methylazanium?
The IUPAC name of (3-methoxy-1,2-oxazol-5-yl)methylazanium (CID 7127180) is (3-methoxy-1,2-oxazol-5-yl)methylazanium.
What is the SMILES notation for (3-methoxy-1,2-oxazol-5-yl)methylazanium?
The canonical SMILES for (3-methoxy-1,2-oxazol-5-yl)methylazanium is COc1cc(C[NH3+])on1.
What is the InChIKey of (3-methoxy-1,2-oxazol-5-yl)methylazanium?
The InChIKey is IVMFFAPHOPXMAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8N2O2/c1-8-5-2-4(3-6)9-7-5/h2H,3,6H2,1H3/p+1.
What are the key properties of (3-methoxy-1,2-oxazol-5-yl)methylazanium?
(3-methoxy-1,2-oxazol-5-yl)methylazanium has a molecular weight of 129.14 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-oxazol-5-yl)methylazanium is sourced from PubChem (CID 7127180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).