4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine

C16H20N2O2 — CID 51076546

IUPAC4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
SMILESCc1ccc(-c2nc(CN3CCOCC3)co2)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-12-3-4-15(13(2)9-12)16-17-14(11-20-16)10-18-5-7-19-8-6-18/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyZIZYOGFIKQSJDZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.79
Rot. Bonds3

About 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine

4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine (PubChem CID 51076546) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
PubChem CID51076546
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
SMILESCc1ccc(-c2nc(CN3CCOCC3)co2)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-12-3-4-15(13(2)9-12)16-17-14(11-20-16)10-18-5-7-19-8-6-18/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyZIZYOGFIKQSJDZ-UHFFFAOYSA-N
XLogP2.79
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine (CID 51076546) is 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine is Cc1ccc(-c2nc(CN3CCOCC3)co2)c(C)c1.
What is the InChIKey of 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine?
The InChIKey is ZIZYOGFIKQSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-3-4-15(13(2)9-12)16-17-14(11-20-16)10-18-5-7-19-8-6-18/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine?
4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine has a molecular weight of 272.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine is sourced from PubChem (CID 51076546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).