3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol

C21H17N3O3 — CID 15957098

IUPAC3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol
SMILESCc1cccnc1-c1noc(-c2cc(O)ccc2OCc2ccccc2)n1
InChIInChI=1S/C21H17N3O3/c1-14-6-5-11-22-19(14)20-23-21(27-24-20)17-12-16(25)9-10-18(17)26-13-15-7-3-2-4-8-15/h2-12,25H,13H2,1H3
InChIKeyPYOKBLIAXBLBJG-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.39
Rot. Bonds5

About 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol

3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol (PubChem CID 15957098) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol.

Molecular Properties

Compound Name3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol
PubChem CID15957098
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol
SMILESCc1cccnc1-c1noc(-c2cc(O)ccc2OCc2ccccc2)n1
InChIInChI=1S/C21H17N3O3/c1-14-6-5-11-22-19(14)20-23-21(27-24-20)17-12-16(25)9-10-18(17)26-13-15-7-3-2-4-8-15/h2-12,25H,13H2,1H3
InChIKeyPYOKBLIAXBLBJG-UHFFFAOYSA-N
XLogP4.39
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol?
The IUPAC name of 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol (CID 15957098) is 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol.
What is the SMILES notation for 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol?
The canonical SMILES for 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol is Cc1cccnc1-c1noc(-c2cc(O)ccc2OCc2ccccc2)n1.
What is the InChIKey of 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol?
The InChIKey is PYOKBLIAXBLBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-6-5-11-22-19(14)20-23-21(27-24-20)17-12-16(25)9-10-18(17)26-13-15-7-3-2-4-8-15/h2-12,25H,13H2,1H3.
What are the key properties of 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol?
3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol has a molecular weight of 359.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol is sourced from PubChem (CID 15957098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).