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

C10H10N2O3 — CID 653848

IUPAC2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnco2)cc1OC
InChIInChI=1S/C10H10N2O3/c1-13-8-4-3-7(5-9(8)14-2)10-12-11-6-15-10/h3-6H,1-2H3
InChIKeyDOEYKWOSOXWMPL-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.75
Rot. Bonds3

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

2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 653848) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID653848
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnco2)cc1OC
InChIInChI=1S/C10H10N2O3/c1-13-8-4-3-7(5-9(8)14-2)10-12-11-6-15-10/h3-6H,1-2H3
InChIKeyDOEYKWOSOXWMPL-UHFFFAOYSA-N
XLogP1.75
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.75
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-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
2-(4-Methoxyphenyl)-1,3,4-oxadiazole
CID 766687
2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
Ethyl 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 330196
2-[4-[(4-Fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 2740991
2-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole
CID 765546
2-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46227022
2-(Benzo[d][1,3]dioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
1,3,4-Oxadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-
CID 3067251
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)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole (CID 653848) is 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnco2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is DOEYKWOSOXWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-13-8-4-3-7(5-9(8)14-2)10-12-11-6-15-10/h3-6H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 206.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 653848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).