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

C15H14N2O3 — CID 162674710

IUPAC5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc2c(c1)C(/C=C/c1n[nH]c(=O)o1)=CCC2
InChIInChI=1S/C15H14N2O3/c1-19-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14-16-17-15(18)20-14/h4-9H,2-3H2,1H3,(H,17,18)/b8-6+
InChIKeyDTZLGFSNOPDVSN-SOFGYWHQSA-N
MW270.29 g/mol
LogP2.41
Rot. Bonds3

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

5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 162674710) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID162674710
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc2c(c1)C(/C=C/c1n[nH]c(=O)o1)=CCC2
InChIInChI=1S/C15H14N2O3/c1-19-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14-16-17-15(18)20-14/h4-9H,2-3H2,1H3,(H,17,18)/b8-6+
InChIKeyDTZLGFSNOPDVSN-SOFGYWHQSA-N
XLogP2.41
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.41
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-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one (CID 162674710) is 5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one is COc1ccc2c(c1)C(/C=C/c1n[nH]c(=O)o1)=CCC2.
What is the InChIKey of 5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is DTZLGFSNOPDVSN-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14-16-17-15(18)20-14/h4-9H,2-3H2,1H3,(H,17,18)/b8-6+.
What are the key properties of 5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.41, 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-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162674710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).