trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide

C7H13IN2O — CID 134811439

IUPACtrimethyl(1,3-oxazol-2-ylmethyl)azanium iodide
SMILESC[N+](C)(C)Cc1ncco1.[I-]
InChIInChI=1S/C7H13N2O.HI/c1-9(2,3)6-7-8-4-5-10-7;/h4-5H,6H2,1-3H3;1H/q+1;/p-1
InChIKeySDXIARALJNDUHF-UHFFFAOYSA-M
MW268.10 g/mol
LogP-2.12
Rot. Bonds2

About trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide

trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide (PubChem CID 134811439) has the molecular formula C7H13IN2O and a molecular weight of 268.10 g/mol. Its IUPAC name is trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(1,3-oxazol-2-ylmethyl)azanium iodide
PubChem CID134811439
Molecular FormulaC7H13IN2O
Molecular Weight268.10 g/mol
Exact Mass268.01
IUPAC Nametrimethyl(1,3-oxazol-2-ylmethyl)azanium iodide
SMILESC[N+](C)(C)Cc1ncco1.[I-]
InChIInChI=1S/C7H13N2O.HI/c1-9(2,3)6-7-8-4-5-10-7;/h4-5H,6H2,1-3H3;1H/q+1;/p-1
InChIKeySDXIARALJNDUHF-UHFFFAOYSA-M
XLogP-2.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide?
The IUPAC name of trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide (CID 134811439) is trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide.
What is the SMILES notation for trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide?
The canonical SMILES for trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide is C[N+](C)(C)Cc1ncco1.[I-].
What is the InChIKey of trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide?
The InChIKey is SDXIARALJNDUHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13N2O.HI/c1-9(2,3)6-7-8-4-5-10-7;/h4-5H,6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide?
trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide has a molecular weight of 268.10 g/mol, XLogP of -2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1,3-oxazol-2-ylmethyl)azanium iodide is sourced from PubChem (CID 134811439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).