2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C21H17N3O3 — CID 656289

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccncc3)o2)ccc1OCc1ccccc1
InChIInChI=1S/C21H17N3O3/c1-25-19-13-17(7-8-18(19)26-14-15-5-3-2-4-6-15)21-24-23-20(27-21)16-9-11-22-12-10-16/h2-13H,14H2,1H3
InChIKeySJVOYEFNAJOLKU-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.39
Rot. Bonds6

About 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 656289) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID656289
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccncc3)o2)ccc1OCc1ccccc1
InChIInChI=1S/C21H17N3O3/c1-25-19-13-17(7-8-18(19)26-14-15-5-3-2-4-6-15)21-24-23-20(27-21)16-9-11-22-12-10-16/h2-13H,14H2,1H3
InChIKeySJVOYEFNAJOLKU-UHFFFAOYSA-N
XLogP4.39
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 656289) is 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is COc1cc(-c2nnc(-c3ccncc3)o2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is SJVOYEFNAJOLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-25-19-13-17(7-8-18(19)26-14-15-5-3-2-4-6-15)21-24-23-20(27-21)16-9-11-22-12-10-16/h2-13H,14H2,1H3.
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 359.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 656289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).