1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone

C20H16N2O2 — CID 57394119

IUPAC1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-14(23)22-20(16-8-3-2-4-9-16)24-19(21-22)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,20H,1H3
InChIKeyMZXJLTUBLQLKOF-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.08
Rot. Bonds2

About 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone

1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 57394119) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID57394119
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-14(23)22-20(16-8-3-2-4-9-16)24-19(21-22)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,20H,1H3
InChIKeyMZXJLTUBLQLKOF-UHFFFAOYSA-N
XLogP4.08
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone (CID 57394119) is 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccccc1.
What is the InChIKey of 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is MZXJLTUBLQLKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-14(23)22-20(16-8-3-2-4-9-16)24-19(21-22)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,20H,1H3.
What are the key properties of 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone?
1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 316.36 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-2-yl-2-phenyl-2H-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 57394119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).