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

C18H12N2O — CID 522928

IUPAC2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C18H12N2O/c1-2-8-14(9-3-1)17-19-20-18(21-17)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChIKeyPNPLRTWSLDSFET-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.56
Rot. Bonds2

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

2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole (PubChem CID 522928) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole
PubChem CID522928
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C18H12N2O/c1-2-8-14(9-3-1)17-19-20-18(21-17)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChIKeyPNPLRTWSLDSFET-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 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole (CID 522928) is 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PNPLRTWSLDSFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-2-8-14(9-3-1)17-19-20-18(21-17)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H.
What are the key properties of 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole?
2-naphthalen-1-yl-5-phenyl-1,3,4-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 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 522928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).