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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Related Compounds

Diphenyloxazole
CID 168750
2-Phenyl-4-oxazolecarboxamide
CID 604678
2-(4-Methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 693639
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
4-{[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetyl}morpholine
CID 3244402
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10151034
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261
2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10194571
N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10194598

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).