2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole

C20H15NO2 — CID 9014713

IUPAC2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnc(COc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C20H15NO2/c1-2-8-16(9-3-1)19-13-21-20(23-19)14-22-18-12-6-10-15-7-4-5-11-17(15)18/h1-13H,14H2
InChIKeyOPHWFPVQTOXCDQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.07
Rot. Bonds4

About 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole

2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole (PubChem CID 9014713) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole
PubChem CID9014713
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnc(COc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C20H15NO2/c1-2-8-16(9-3-1)19-13-21-20(23-19)14-22-18-12-6-10-15-7-4-5-11-17(15)18/h1-13H,14H2
InChIKeyOPHWFPVQTOXCDQ-UHFFFAOYSA-N
XLogP5.07
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline
CID 61027840
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione
CID 10912191
2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole
CID 41459120
4-methoxy-2-[(5-phenyl-1,3-oxazol-2-yl)methoxy]benzamide
CID 47004427
4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole
CID 75393112
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 18205556
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406
benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 72648141
5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 101129474

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole (CID 9014713) is 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole is c1ccc(-c2cnc(COc3cccc4ccccc34)o2)cc1.
What is the InChIKey of 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole?
The InChIKey is OPHWFPVQTOXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-2-8-16(9-3-1)19-13-21-20(23-19)14-22-18-12-6-10-15-7-4-5-11-17(15)18/h1-13H,14H2.
What are the key properties of 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole?
2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole has a molecular weight of 301.35 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 9014713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).