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

C17H14N2O3 — CID 136919427

IUPAC2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(/C=C\c2noc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C17H14N2O3/c1-21-13-9-6-12(7-10-13)8-11-16-18-17(22-19-16)14-4-2-3-5-15(14)20/h2-11,20H,1H3/b11-8-
InChIKeyNNGXWSJCTXANCH-FLIBITNWSA-N
MW294.31 g/mol
LogP3.62
Rot. Bonds4

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

2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136919427) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136919427
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(/C=C\c2noc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C17H14N2O3/c1-21-13-9-6-12(7-10-13)8-11-16-18-17(22-19-16)14-4-2-3-5-15(14)20/h2-11,20H,1H3/b11-8-
InChIKeyNNGXWSJCTXANCH-FLIBITNWSA-N
XLogP3.62
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 136919427) is 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol is COc1ccc(/C=C\c2noc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is NNGXWSJCTXANCH-FLIBITNWSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-21-13-9-6-12(7-10-13)8-11-16-18-17(22-19-16)14-4-2-3-5-15(14)20/h2-11,20H,1H3/b11-8-.
What are the key properties of 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 294.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136919427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).