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

C15H12N2O3 — CID 706782

IUPAC2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccc(-c2nnc(-c3ccccc3O)o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)14-16-17-15(20-14)12-4-2-3-5-13(12)18/h2-9,18H,1H3
InChIKeyNOZPDMPDJUURTF-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.12
Rot. Bonds3

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

2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 706782) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID706782
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccc(-c2nnc(-c3ccccc3O)o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)14-16-17-15(20-14)12-4-2-3-5-13(12)18/h2-9,18H,1H3
InChIKeyNOZPDMPDJUURTF-UHFFFAOYSA-N
XLogP3.12
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 706782) is 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is COc1ccc(-c2nnc(-c3ccccc3O)o2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is NOZPDMPDJUURTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)14-16-17-15(20-14)12-4-2-3-5-13(12)18/h2-9,18H,1H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 268.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 706782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).