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

C14H10N2O3 — CID 3971875

IUPAC4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C14H10N2O3/c17-11-5-1-9(2-6-11)13-15-14(19-16-13)10-3-7-12(18)8-4-10/h1-8,17-18H
InChIKeyJDSJZQNILAOWDQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.81
Rot. Bonds2

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

4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 3971875) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID3971875
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C14H10N2O3/c17-11-5-1-9(2-6-11)13-15-14(19-16-13)10-3-7-12(18)8-4-10/h1-8,17-18H
InChIKeyJDSJZQNILAOWDQ-UHFFFAOYSA-N
XLogP2.81
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 3971875) is 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is JDSJZQNILAOWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-11-5-1-9(2-6-11)13-15-14(19-16-13)10-3-7-12(18)8-4-10/h1-8,17-18H.
What are the key properties of 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 254.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 3971875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).