2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole

C20H21NO3 — CID 55542490

IUPAC2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
SMILESCCCOc1ccccc1OCc1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H21NO3/c1-3-12-22-18-6-4-5-7-19(18)23-13-17-14-24-20(21-17)16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyWUFTXERRSXPLRM-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.02
Rot. Bonds7

About 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole

2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole (PubChem CID 55542490) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
PubChem CID55542490
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
SMILESCCCOc1ccccc1OCc1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H21NO3/c1-3-12-22-18-6-4-5-7-19(18)23-13-17-14-24-20(21-17)16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyWUFTXERRSXPLRM-UHFFFAOYSA-N
XLogP5.02
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51117274
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 31681304
4-[(2-methyl-3-pyridinyl)oxymethyl]-2-(4-methylsulfonylphenyl)-1,3-oxazole
CID 86787021
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032
3-chloro-4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 24668715
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate
CID 55543684
2-(4-methylphenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-oxazole
CID 47023809
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole (CID 55542490) is 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole is CCCOc1ccccc1OCc1coc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole?
The InChIKey is WUFTXERRSXPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-12-22-18-6-4-5-7-19(18)23-13-17-14-24-20(21-17)16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole?
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole has a molecular weight of 323.39 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 55542490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).