3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole

C16H14N2O3 — CID 2989748

IUPAC3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3cccc(OC)c3)n2)c1
InChIInChI=1S/C16H14N2O3/c1-19-13-7-3-5-11(9-13)15-17-16(21-18-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
InChIKeyDOSPACHFJDJDRL-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.42
Rot. Bonds4

About 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole

3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2989748) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID2989748
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3cccc(OC)c3)n2)c1
InChIInChI=1S/C16H14N2O3/c1-19-13-7-3-5-11(9-13)15-17-16(21-18-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
InChIKeyDOSPACHFJDJDRL-UHFFFAOYSA-N
XLogP3.42
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Irampanel
CID 3038472
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
[2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 8034425
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 803562
3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 1252416
4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 155512982
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 155523621
5-(3-Methoxyphenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718728
5-(1,3-Benzodioxol-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 893001
N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 5213518
6-Methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 946390

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole (CID 2989748) is 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(-c3cccc(OC)c3)n2)c1.
What is the InChIKey of 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is DOSPACHFJDJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-19-13-7-3-5-11(9-13)15-17-16(21-18-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3.
What are the key properties of 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole?
3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2989748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).