5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole

C18H12N2O — CID 3241690

IUPAC5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C18H12N2O/c1-2-7-14(8-3-1)17-19-18(21-20-17)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKeyFGCJHEWQIHNJMD-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.56
Rot. Bonds2

About 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole

5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole (PubChem CID 3241690) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole
PubChem CID3241690
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C18H12N2O/c1-2-7-14(8-3-1)17-19-18(21-20-17)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKeyFGCJHEWQIHNJMD-UHFFFAOYSA-N
XLogP4.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole (CID 3241690) is 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FGCJHEWQIHNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-2-7-14(8-3-1)17-19-18(21-20-17)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H.
What are the key properties of 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole?
5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole has a molecular weight of 272.31 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 3241690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).