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

C12H15ClN2O — CID 13912

IUPACdimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride
SMILESC[NH+](C)Cc1cc(-c2ccccc2)on1.[Cl-]
InChIInChI=1S/C12H14N2O.ClH/c1-14(2)9-11-8-12(15-13-11)10-6-4-3-5-7-10;/h3-8H,9H2,1-2H3;1H
InChIKeyZJKJDXVDNMBETH-UHFFFAOYSA-N
MW238.72 g/mol
LogP-2.01
Rot. Bonds3

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

dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride (PubChem CID 13912) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride
PubChem CID13912
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Namedimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride
SMILESC[NH+](C)Cc1cc(-c2ccccc2)on1.[Cl-]
InChIInChI=1S/C12H14N2O.ClH/c1-14(2)9-11-8-12(15-13-11)10-6-4-3-5-7-10;/h3-8H,9H2,1-2H3;1H
InChIKeyZJKJDXVDNMBETH-UHFFFAOYSA-N
XLogP-2.01
TPSA30.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
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-Methyl-3-phenyl-1,2-oxazole
CID 136803
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-(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

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride?
The IUPAC name of dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride (CID 13912) is dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride.
What is the SMILES notation for dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride?
The canonical SMILES for dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride is C[NH+](C)Cc1cc(-c2ccccc2)on1.[Cl-].
What is the InChIKey of dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride?
The InChIKey is ZJKJDXVDNMBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-14(2)9-11-8-12(15-13-11)10-6-4-3-5-7-10;/h3-8H,9H2,1-2H3;1H.
What are the key properties of dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride?
dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride has a molecular weight of 238.72 g/mol, XLogP of -2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride is sourced from PubChem (CID 13912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).