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

C14H10N2O3 — CID 10879638

IUPAC3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1cccc(-c2nnc(-c3cccc(O)c3)o2)c1
InChIInChI=1S/C14H10N2O3/c17-11-5-1-3-9(7-11)13-15-16-14(19-13)10-4-2-6-12(18)8-10/h1-8,17-18H
InChIKeyDDGTVDSRUAMPAA-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.81
Rot. Bonds2

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

3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 10879638) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID10879638
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1cccc(-c2nnc(-c3cccc(O)c3)o2)c1
InChIInChI=1S/C14H10N2O3/c17-11-5-1-3-9(7-11)13-15-16-14(19-13)10-4-2-6-12(18)8-10/h1-8,17-18H
InChIKeyDDGTVDSRUAMPAA-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 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 10879638) is 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1cccc(-c2nnc(-c3cccc(O)c3)o2)c1.
What is the InChIKey of 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is DDGTVDSRUAMPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-11-5-1-3-9(7-11)13-15-16-14(19-13)10-4-2-6-12(18)8-10/h1-8,17-18H.
What are the key properties of 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-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 3-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 10879638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).