5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one

C16H14N2O4 — CID 162672373

IUPAC5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1cc2cccc(/C=C/c3n[nH]c(=O)o3)c2cc1OC
InChIInChI=1S/C16H14N2O4/c1-20-13-8-11-5-3-4-10(12(11)9-14(13)21-2)6-7-15-17-18-16(19)22-15/h3-9H,1-2H3,(H,18,19)/b7-6+
InChIKeyQFGVNCVFVBJKLH-VOTSOKGWSA-N
MW298.30 g/mol
LogP2.70
Rot. Bonds4

About 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one

5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 162672373) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID162672373
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1cc2cccc(/C=C/c3n[nH]c(=O)o3)c2cc1OC
InChIInChI=1S/C16H14N2O4/c1-20-13-8-11-5-3-4-10(12(11)9-14(13)21-2)6-7-15-17-18-16(19)22-15/h3-9H,1-2H3,(H,18,19)/b7-6+
InChIKeyQFGVNCVFVBJKLH-VOTSOKGWSA-N
XLogP2.70
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one (CID 162672373) is 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one is COc1cc2cccc(/C=C/c3n[nH]c(=O)o3)c2cc1OC.
What is the InChIKey of 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is QFGVNCVFVBJKLH-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-20-13-8-11-5-3-4-10(12(11)9-14(13)21-2)6-7-15-17-18-16(19)22-15/h3-9H,1-2H3,(H,18,19)/b7-6+.
What are the key properties of 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 298.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(6,7-dimethoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162672373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).