4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol

C19H13N3O3 — CID 135878208

IUPAC4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)cc1
InChIInChI=1S/C19H13N3O3/c23-15-7-3-14(4-8-15)19-21-18(22-25-19)13-5-9-16(10-6-13)24-17-2-1-11-20-12-17/h1-12,23H
InChIKeyDYSJOJXNIGWNHT-UHFFFAOYSA-N
MW331.33 g/mol
LogP4.30
Rot. Bonds4

About 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135878208) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135878208
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)cc1
InChIInChI=1S/C19H13N3O3/c23-15-7-3-14(4-8-15)19-21-18(22-25-19)13-5-9-16(10-6-13)24-17-2-1-11-20-12-17/h1-12,23H
InChIKeyDYSJOJXNIGWNHT-UHFFFAOYSA-N
XLogP4.30
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 135878208) is 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)cc1.
What is the InChIKey of 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is DYSJOJXNIGWNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-15-7-3-14(4-8-15)19-21-18(22-25-19)13-5-9-16(10-6-13)24-17-2-1-11-20-12-17/h1-12,23H.
What are the key properties of 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 331.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135878208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).