diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride

C14H19ClN2O — CID 14614

IUPACdiethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride
SMILESCC[NH+](CC)Cc1cc(-c2ccccc2)on1.[Cl-]
InChIInChI=1S/C14H18N2O.ClH/c1-3-16(4-2)11-13-10-14(17-15-13)12-8-6-5-7-9-12;/h5-10H,3-4,11H2,1-2H3;1H
InChIKeyYMFFVBWOXHRZLL-UHFFFAOYSA-N
MW266.77 g/mol
LogP-1.23
Rot. Bonds5

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

diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride (PubChem CID 14614) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride
PubChem CID14614
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Namediethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride
SMILESCC[NH+](CC)Cc1cc(-c2ccccc2)on1.[Cl-]
InChIInChI=1S/C14H18N2O.ClH/c1-3-16(4-2)11-13-10-14(17-15-13)12-8-6-5-7-9-12;/h5-10H,3-4,11H2,1-2H3;1H
InChIKeyYMFFVBWOXHRZLL-UHFFFAOYSA-N
XLogP-1.23
TPSA30.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
3-Methyl-5-phenylisoxazole
CID 136804
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304

Frequently Asked Questions

What is the IUPAC name of diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride?
The IUPAC name of diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride (CID 14614) is diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride.
What is the SMILES notation for diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride?
The canonical SMILES for diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride is CC[NH+](CC)Cc1cc(-c2ccccc2)on1.[Cl-].
What is the InChIKey of diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride?
The InChIKey is YMFFVBWOXHRZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-3-16(4-2)11-13-10-14(17-15-13)12-8-6-5-7-9-12;/h5-10H,3-4,11H2,1-2H3;1H.
What are the key properties of diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride?
diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride has a molecular weight of 266.77 g/mol, XLogP of -1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride is sourced from PubChem (CID 14614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).