5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole

C19H14N2O2 — CID 873913

IUPAC5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(COc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C19H14N2O2/c1-2-8-15(9-3-1)19-20-18(23-21-19)13-22-17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2
InChIKeyZPMUASAYRLQUNA-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.47
Rot. Bonds4

About 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole

5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 873913) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID873913
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(COc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C19H14N2O2/c1-2-8-15(9-3-1)19-20-18(23-21-19)13-22-17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2
InChIKeyZPMUASAYRLQUNA-UHFFFAOYSA-N
XLogP4.47
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(naphthalen-1-yloxymethyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 5302827
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
CID 91991140
5-[(1-bromonaphthalen-2-yl)oxymethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17380532
2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole
CID 9014713
N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874661
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327
5-[(2,3-dimethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 750800
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 63746874
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029346

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole (CID 873913) is 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(COc3cccc4ccccc34)n2)cc1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZPMUASAYRLQUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-2-8-15(9-3-1)19-20-18(23-21-19)13-22-17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2.
What are the key properties of 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole?
5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 302.33 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 873913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).