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

C16H16N2O2 — CID 754976

IUPAC1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1(C)C
InChIInChI=1S/C16H16N2O2/c1-11(19)18-16(2,3)20-15(17-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,1-3H3
InChIKeyAKYZYSDSIOURDX-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.12
Rot. Bonds1

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

1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 754976) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID754976
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1(C)C
InChIInChI=1S/C16H16N2O2/c1-11(19)18-16(2,3)20-15(17-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,1-3H3
InChIKeyAKYZYSDSIOURDX-UHFFFAOYSA-N
XLogP3.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone (CID 754976) is 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2ccc3ccccc3c2)OC1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is AKYZYSDSIOURDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(19)18-16(2,3)20-15(17-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,1-3H3.
What are the key properties of 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone?
1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 268.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-5-naphthalen-2-yl-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 754976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).