2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole

C18H18N2O2 — CID 118342245

IUPAC2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(COCc3ccccn3)co2)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-13-6-7-17(14(2)9-13)18-20-16(12-22-18)11-21-10-15-5-3-4-8-19-15/h3-9,12H,10-11H2,1-2H3
InChIKeyQFEZRFBXPCLAIS-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.07
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole

2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole (PubChem CID 118342245) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
PubChem CID118342245
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(COCc3ccccn3)co2)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-13-6-7-17(14(2)9-13)18-20-16(12-22-18)11-21-10-15-5-3-4-8-19-15/h3-9,12H,10-11H2,1-2H3
InChIKeyQFEZRFBXPCLAIS-UHFFFAOYSA-N
XLogP4.07
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
CID 118342199
3-chloro-4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 24675335
N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287872
4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 51076546
2-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-oxazole
CID 24675633
3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-4-amine
CID 24675001
2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
CID 158241679
2-(2,4-dimethylphenyl)-4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 43052760
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
1-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]benzo[cd]indol-2-one
CID 36543545
2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole
CID 24675149

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole (CID 118342245) is 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole is Cc1ccc(-c2nc(COCc3ccccn3)co2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole?
The InChIKey is QFEZRFBXPCLAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-6-7-17(14(2)9-13)18-20-16(12-22-18)11-21-10-15-5-3-4-8-19-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole?
2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole has a molecular weight of 294.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole is sourced from PubChem (CID 118342245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).