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

C20H15FN2O2 — CID 139087293

IUPAC2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(COc3cccc4ccccc34)o2)ccc1F
InChIInChI=1S/C20H15FN2O2/c1-13-11-15(9-10-17(13)21)20-23-22-19(25-20)12-24-18-8-4-6-14-5-2-3-7-16(14)18/h2-11H,12H2,1H3
InChIKeyMQKHMLHLZPSVHQ-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.92
Rot. Bonds4

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

2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 139087293) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole
PubChem CID139087293
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(COc3cccc4ccccc34)o2)ccc1F
InChIInChI=1S/C20H15FN2O2/c1-13-11-15(9-10-17(13)21)20-23-22-19(25-20)12-24-18-8-4-6-14-5-2-3-7-16(14)18/h2-11H,12H2,1H3
InChIKeyMQKHMLHLZPSVHQ-UHFFFAOYSA-N
XLogP4.92
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole (CID 139087293) is 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(COc3cccc4ccccc34)o2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is MQKHMLHLZPSVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-13-11-15(9-10-17(13)21)20-23-22-19(25-20)12-24-18-8-4-6-14-5-2-3-7-16(14)18/h2-11H,12H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole?
2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 334.35 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 139087293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).