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

C4H7N2O2+ — CID 6971146

IUPAC(3-oxo-1,2-oxazol-5-yl)methylazanium
SMILES[NH3+]Cc1cc(=O)[nH]o1
InChIInChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)/p+1
InChIKeyZJQHPWUVQPJPQT-UHFFFAOYSA-O
MW115.11 g/mol
LogP-1.29
Rot. Bonds1

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

(3-oxo-1,2-oxazol-5-yl)methylazanium (PubChem CID 6971146) has the molecular formula C4H7N2O2+ and a molecular weight of 115.11 g/mol. Its IUPAC name is (3-oxo-1,2-oxazol-5-yl)methylazanium.

Molecular Properties

Compound Name(3-oxo-1,2-oxazol-5-yl)methylazanium
PubChem CID6971146
Molecular FormulaC4H7N2O2+
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name(3-oxo-1,2-oxazol-5-yl)methylazanium
SMILES[NH3+]Cc1cc(=O)[nH]o1
InChIInChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)/p+1
InChIKeyZJQHPWUVQPJPQT-UHFFFAOYSA-O
XLogP-1.29
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-1,2-oxazol-5-yl)methylazanium?
The IUPAC name of (3-oxo-1,2-oxazol-5-yl)methylazanium (CID 6971146) is (3-oxo-1,2-oxazol-5-yl)methylazanium.
What is the SMILES notation for (3-oxo-1,2-oxazol-5-yl)methylazanium?
The canonical SMILES for (3-oxo-1,2-oxazol-5-yl)methylazanium is [NH3+]Cc1cc(=O)[nH]o1.
What is the InChIKey of (3-oxo-1,2-oxazol-5-yl)methylazanium?
The InChIKey is ZJQHPWUVQPJPQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)/p+1.
What are the key properties of (3-oxo-1,2-oxazol-5-yl)methylazanium?
(3-oxo-1,2-oxazol-5-yl)methylazanium has a molecular weight of 115.11 g/mol, XLogP of -1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1,2-oxazol-5-yl)methylazanium is sourced from PubChem (CID 6971146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).