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

C16H11ClN2O2 — CID 4890046

IUPAC2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(C=Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-5-11(6-9-12)7-10-15-18-16(21-19-15)13-3-1-2-4-14(13)20/h1-10,20H
InChIKeyRFCHQWCUMHDEKX-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.27
Rot. Bonds3

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

2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 4890046) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID4890046
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(C=Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-5-11(6-9-12)7-10-15-18-16(21-19-15)13-3-1-2-4-14(13)20/h1-10,20H
InChIKeyRFCHQWCUMHDEKX-UHFFFAOYSA-N
XLogP4.27
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 4890046) is 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1ccccc1-c1nc(C=Cc2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is RFCHQWCUMHDEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-8-5-11(6-9-12)7-10-15-18-16(21-19-15)13-3-1-2-4-14(13)20/h1-10,20H.
What are the key properties of 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 298.73 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 4890046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).