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

C15H12N2O3 — CID 135878207

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-13-8-4-10(5-9-13)14-16-15(20-17-14)11-2-6-12(18)7-3-11/h2-9,18H,1H3
InChIKeyBZDBPBCAZBLHCJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.12
Rot. Bonds3

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

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135878207) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135878207
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-13-8-4-10(5-9-13)14-16-15(20-17-14)11-2-6-12(18)7-3-11/h2-9,18H,1H3
InChIKeyBZDBPBCAZBLHCJ-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 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 135878207) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is COc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BZDBPBCAZBLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-13-8-4-10(5-9-13)14-16-15(20-17-14)11-2-6-12(18)7-3-11/h2-9,18H,1H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-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 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135878207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).