4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate

C16H14N2O4 — CID 134840441

IUPAC4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
SMILESCOc1ccc(-[n+]2noc([O-])c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C16H14N2O4/c1-20-13-8-6-12(7-9-13)18-15(16(19)22-17-18)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3
InChIKeyFEILWXBSZOAXNM-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.71
Rot. Bonds4

About 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate

4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate (PubChem CID 134840441) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
PubChem CID134840441
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
SMILESCOc1ccc(-[n+]2noc([O-])c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C16H14N2O4/c1-20-13-8-6-12(7-9-13)18-15(16(19)22-17-18)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3
InChIKeyFEILWXBSZOAXNM-UHFFFAOYSA-N
XLogP1.71
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(4,9-dioxobenzo[f][1,2]benzoxazol-3-yl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
CID 12065507
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-[1-(4-methoxyphenyl)-1,1a-dihydroazirino[1,2-a]quinoxalin-2-yl]-3-phenyloxadiazol-3-ium-5-olate
CID 16756113
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-3-phenyloxadiazol-3-ium-5-olate
CID 10315989
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
3-(4-methoxyphenyl)-4-(2-pyrimidin-2-ylsulfanylacetyl)oxadiazol-3-ium-5-olate
CID 53290123
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate?
The IUPAC name of 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate (CID 134840441) is 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate.
What is the SMILES notation for 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate?
The canonical SMILES for 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate is COc1ccc(-[n+]2noc([O-])c2-c2cccc(OC)c2)cc1.
What is the InChIKey of 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate?
The InChIKey is FEILWXBSZOAXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-20-13-8-6-12(7-9-13)18-15(16(19)22-17-18)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate?
4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate has a molecular weight of 298.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate is sourced from PubChem (CID 134840441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).