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

C18H14N2O2S — CID 57402880

IUPAC1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccsc1
InChIInChI=1S/C18H14N2O2S/c1-12(21)20-18(16-8-9-23-11-16)22-17(19-20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,18H,1H3
InChIKeyNKBAWLDMKXEHTN-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.14
Rot. Bonds2

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

1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 57402880) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID57402880
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccsc1
InChIInChI=1S/C18H14N2O2S/c1-12(21)20-18(16-8-9-23-11-16)22-17(19-20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,18H,1H3
InChIKeyNKBAWLDMKXEHTN-UHFFFAOYSA-N
XLogP4.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (CID 57402880) is 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccsc1.
What is the InChIKey of 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is NKBAWLDMKXEHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-12(21)20-18(16-8-9-23-11-16)22-17(19-20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,18H,1H3.
What are the key properties of 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 322.39 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-2-yl-2-thiophen-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 57402880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).