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

C19H19NO3 — CID 112787746

IUPAC2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
SMILESCCCOc1ccc(OCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H19NO3/c1-2-12-21-17-8-10-18(11-9-17)22-13-16-14-23-19(20-16)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3
InChIKeyZGIXTYAXCIRZMB-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.71
Rot. Bonds7

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

2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole (PubChem CID 112787746) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
PubChem CID112787746
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
SMILESCCCOc1ccc(OCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H19NO3/c1-2-12-21-17-8-10-18(11-9-17)22-13-16-14-23-19(20-16)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3
InChIKeyZGIXTYAXCIRZMB-UHFFFAOYSA-N
XLogP4.71
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
CID 55542490
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 166351524
4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51117274
2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 18165684
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenoxyethanamine
CID 56679919
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole (CID 112787746) is 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole is CCCOc1ccc(OCc2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole?
The InChIKey is ZGIXTYAXCIRZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-12-21-17-8-10-18(11-9-17)22-13-16-14-23-19(20-16)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3.
What are the key properties of 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole?
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole has a molecular weight of 309.37 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 112787746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).