4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol

C20H15N3O3 — CID 135990909

IUPAC4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(-c4ccc(O)cc4)nc3)n2)cc1
InChIInChI=1S/C20H15N3O3/c1-25-17-9-4-14(5-10-17)19-22-20(26-23-19)15-6-11-18(21-12-15)13-2-7-16(24)8-3-13/h2-12,24H,1H3
InChIKeyZRJHJRSFOJQAQQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.18
Rot. Bonds4

About 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol

4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol (PubChem CID 135990909) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol
PubChem CID135990909
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(-c4ccc(O)cc4)nc3)n2)cc1
InChIInChI=1S/C20H15N3O3/c1-25-17-9-4-14(5-10-17)19-22-20(26-23-19)15-6-11-18(21-12-15)13-2-7-16(24)8-3-13/h2-12,24H,1H3
InChIKeyZRJHJRSFOJQAQQ-UHFFFAOYSA-N
XLogP4.18
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol?
The IUPAC name of 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol (CID 135990909) is 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol is COc1ccc(-c2noc(-c3ccc(-c4ccc(O)cc4)nc3)n2)cc1.
What is the InChIKey of 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol?
The InChIKey is ZRJHJRSFOJQAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-17-9-4-14(5-10-17)19-22-20(26-23-19)15-6-11-18(21-12-15)13-2-7-16(24)8-3-13/h2-12,24H,1H3.
What are the key properties of 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol?
4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol has a molecular weight of 345.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 135990909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).