4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride

C15H19ClN2O2 — CID 14153

IUPAC4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride
SMILES[Cl-].c1ccc(-c2cc(CC[NH+]3CCOCC3)on2)cc1
InChIInChI=1S/C15H18N2O2.ClH/c1-2-4-13(5-3-1)15-12-14(19-16-15)6-7-17-8-10-18-11-9-17;/h1-5,12H,6-11H2;1H
InChIKeyNJSVHDCSDBNMSD-UHFFFAOYSA-N
MW294.78 g/mol
LogP-2.20
Rot. Bonds4

About 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride

4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride (PubChem CID 14153) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride.

Molecular Properties

Compound Name4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride
PubChem CID14153
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride
SMILES[Cl-].c1ccc(-c2cc(CC[NH+]3CCOCC3)on2)cc1
InChIInChI=1S/C15H18N2O2.ClH/c1-2-4-13(5-3-1)15-12-14(19-16-15)6-7-17-8-10-18-11-9-17;/h1-5,12H,6-11H2;1H
InChIKeyNJSVHDCSDBNMSD-UHFFFAOYSA-N
XLogP-2.20
TPSA39.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
3-(2-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-5-carboxamide
CID 17096081
4-[(5-Methyl-3-phenyl-4-isoxazolyl)carbonyl]-morpholine
CID 652190
5-(4-fluorophenyl)-N-(2-morpholinoethyl)isoxazole-3-carboxamide
CID 3236843
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)isoxazole-3-carboxamide
CID 3243233
4-[5-[(E)-1-azabicyclo[2.2.2]octan-3-ylidenemethyl]-1,2-oxazol-3-yl]aniline
CID 44327697
5-Methyl-N-(4-morpholinyl)-3-phenyl-4-isoxazolecarboxamide
CID 539730
1-(3-Phenyl-1,2-oxazol-5-yl)-2-(piperidin-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 201878
1-(3-Phenyl-1,2-oxazol-5-yl)methanamine
CID 2764165
N-(3-ethoxypropyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 653179

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride?
The IUPAC name of 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride (CID 14153) is 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride.
What is the SMILES notation for 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride?
The canonical SMILES for 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride is [Cl-].c1ccc(-c2cc(CC[NH+]3CCOCC3)on2)cc1.
What is the InChIKey of 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride?
The InChIKey is NJSVHDCSDBNMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-2-4-13(5-3-1)15-12-14(19-16-15)6-7-17-8-10-18-11-9-17;/h1-5,12H,6-11H2;1H.
What are the key properties of 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride?
4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride has a molecular weight of 294.78 g/mol, XLogP of -2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride is sourced from PubChem (CID 14153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).