2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol

C13H16N2O2 — CID 110884956

IUPAC2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
SMILESCc1ccc(-c2nc(CNCCO)co2)cc1
InChIInChI=1S/C13H16N2O2/c1-10-2-4-11(5-3-10)13-15-12(9-17-13)8-14-6-7-16/h2-5,9,14,16H,6-8H2,1H3
InChIKeyQXFQJMUFEQMXDR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.73
Rot. Bonds5

About 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol

2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol (PubChem CID 110884956) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
PubChem CID110884956
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
SMILESCc1ccc(-c2nc(CNCCO)co2)cc1
InChIInChI=1S/C13H16N2O2/c1-10-2-4-11(5-3-10)13-15-12(9-17-13)8-14-6-7-16/h2-5,9,14,16H,6-8H2,1H3
InChIKeyQXFQJMUFEQMXDR-UHFFFAOYSA-N
XLogP1.73
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethyl]benzamide
CID 71858009
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288509
4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile
CID 65288463
N-[[2-(3-chloro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81324992
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084513
1,1,2-trimethyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111591604
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
1-(5-hydroxy-4,4-dimethylpentyl)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 111509622
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
CID 56669352

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol (CID 110884956) is 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol is Cc1ccc(-c2nc(CNCCO)co2)cc1.
What is the InChIKey of 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol?
The InChIKey is QXFQJMUFEQMXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-2-4-11(5-3-10)13-15-12(9-17-13)8-14-6-7-16/h2-5,9,14,16H,6-8H2,1H3.
What are the key properties of 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol?
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol has a molecular weight of 232.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol is sourced from PubChem (CID 110884956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).