2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C18H12N2OS — CID 6011073

IUPAC2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESC(=C/c1cccc2ccccc12)\c1nnc(-c2cccs2)o1
InChIInChI=1S/C18H12N2OS/c1-2-8-15-13(5-1)6-3-7-14(15)10-11-17-19-20-18(21-17)16-9-4-12-22-16/h1-12H/b11-10+
InChIKeyHDNDTJPDOKBKHG-ZHACJKMWSA-N
MW304.37 g/mol
LogP5.12
Rot. Bonds3

About 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 6011073) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID6011073
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESC(=C/c1cccc2ccccc12)\c1nnc(-c2cccs2)o1
InChIInChI=1S/C18H12N2OS/c1-2-8-15-13(5-1)6-3-7-14(15)10-11-17-19-20-18(21-17)16-9-4-12-22-16/h1-12H/b11-10+
InChIKeyHDNDTJPDOKBKHG-ZHACJKMWSA-N
XLogP5.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole
CID 4662305
2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene
CID 90885474
2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19554491
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 4880151
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
CID 51401385
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542453
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-naphthalen-1-ylacetate
CID 7696095
4-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 5475238

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 6011073) is 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole is C(=C/c1cccc2ccccc12)\c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is HDNDTJPDOKBKHG-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H12N2OS/c1-2-8-15-13(5-1)6-3-7-14(15)10-11-17-19-20-18(21-17)16-9-4-12-22-16/h1-12H/b11-10+.
What are the key properties of 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 304.37 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 6011073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).