dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride

C13H17ClN2O — CID 13716

IUPACdimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride
SMILESC[NH+](C)CCc1cc(-c2ccccc2)no1.[Cl-]
InChIInChI=1S/C13H16N2O.ClH/c1-15(2)9-8-12-10-13(14-16-12)11-6-4-3-5-7-11;/h3-7,10H,8-9H2,1-2H3;1H
InChIKeyLLJOIXGMUXMBCX-UHFFFAOYSA-N
MW252.75 g/mol
LogP-1.97
Rot. Bonds4

About dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride

dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride (PubChem CID 13716) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride
PubChem CID13716
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Namedimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride
SMILESC[NH+](C)CCc1cc(-c2ccccc2)no1.[Cl-]
InChIInChI=1S/C13H16N2O.ClH/c1-15(2)9-8-12-10-13(14-16-12)11-6-4-3-5-7-11;/h3-7,10H,8-9H2,1-2H3;1H
InChIKeyLLJOIXGMUXMBCX-UHFFFAOYSA-N
XLogP-1.97
TPSA30.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride (CID 13716) is dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride is C[NH+](C)CCc1cc(-c2ccccc2)no1.[Cl-].
What is the InChIKey of dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride?
The InChIKey is LLJOIXGMUXMBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-15(2)9-8-12-10-13(14-16-12)11-6-4-3-5-7-11;/h3-7,10H,8-9H2,1-2H3;1H.
What are the key properties of dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride?
dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride has a molecular weight of 252.75 g/mol, XLogP of -1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride is sourced from PubChem (CID 13716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).