2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole

C16H13FN2O3 — CID 755411

IUPAC2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1OC
InChIInChI=1S/C16H13FN2O3/c1-20-13-7-6-11(9-14(13)21-2)16-19-18-15(22-16)10-4-3-5-12(17)8-10/h3-9H,1-2H3
InChIKeyQAAMUQUSPJFBHQ-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.56
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 755411) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID755411
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1OC
InChIInChI=1S/C16H13FN2O3/c1-20-13-7-6-11(9-14(13)21-2)16-19-18-15(22-16)10-4-3-5-12(17)8-10/h3-9H,1-2H3
InChIKeyQAAMUQUSPJFBHQ-UHFFFAOYSA-N
XLogP3.56
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(1,3-Benzodioxol-5-yl)-5-((3-fluoro-4-methoxybenzyl)sulfanyl)-1,3,4-oxadiazole
CID 2079916
2-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
2-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46227022
2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(4-Fluoro-phenyl)-5-m-tolyloxymethyl-[1,3,4]oxadiazole
CID 671988
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
2-(4-Methoxybenzyl)-5-phenyl-1,3,4-oxadiazole
CID 13004922
2-[4-[(4-Fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 2740991
2-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole
CID 765546
2-(Benzo[d][1,3]dioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 356902

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 755411) is 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is QAAMUQUSPJFBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-20-13-7-6-11(9-14(13)21-2)16-19-18-15(22-16)10-4-3-5-12(17)8-10/h3-9H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 300.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).