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

C24H18N2O2 — CID 56951303

IUPAC1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccc2ccccc2c1
InChIInChI=1S/C24H18N2O2/c1-16(27)26-24(22-13-11-18-7-3-5-9-20(18)15-22)28-23(25-26)21-12-10-17-6-2-4-8-19(17)14-21/h2-15,24H,1H3
InChIKeyLRMYEEATTUUNJT-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.23
Rot. Bonds2

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

1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 56951303) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID56951303
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccc2ccccc2c1
InChIInChI=1S/C24H18N2O2/c1-16(27)26-24(22-13-11-18-7-3-5-9-20(18)15-22)28-23(25-26)21-12-10-17-6-2-4-8-19(17)14-21/h2-15,24H,1H3
InChIKeyLRMYEEATTUUNJT-UHFFFAOYSA-N
XLogP5.23
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (CID 56951303) is 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccc2ccccc2c1.
What is the InChIKey of 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is LRMYEEATTUUNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-16(27)26-24(22-13-11-18-7-3-5-9-20(18)15-22)28-23(25-26)21-12-10-17-6-2-4-8-19(17)14-21/h2-15,24H,1H3.
What are the key properties of 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 366.42 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 56951303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).