5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one

C15H12N2O3 — CID 162674581

IUPAC5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc2cccc(/C=C/c3n[nH]c(=O)o3)c2c1
InChIInChI=1S/C15H12N2O3/c1-19-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14-16-17-15(18)20-14/h2-9H,1H3,(H,17,18)/b8-6+
InChIKeyFYCHMJRHAXMZRI-SOFGYWHQSA-N
MW268.27 g/mol
LogP2.70
Rot. Bonds3

About 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one

5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 162674581) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID162674581
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc2cccc(/C=C/c3n[nH]c(=O)o3)c2c1
InChIInChI=1S/C15H12N2O3/c1-19-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14-16-17-15(18)20-14/h2-9H,1H3,(H,17,18)/b8-6+
InChIKeyFYCHMJRHAXMZRI-SOFGYWHQSA-N
XLogP2.70
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one (CID 162674581) is 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one is COc1ccc2cccc(/C=C/c3n[nH]c(=O)o3)c2c1.
What is the InChIKey of 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is FYCHMJRHAXMZRI-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14-16-17-15(18)20-14/h2-9H,1H3,(H,17,18)/b8-6+.
What are the key properties of 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 268.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162674581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).