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

C21H16N2O2 — CID 137028416

IUPAC4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Cc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C21H16N2O2/c24-19-12-10-18(11-13-19)21-22-20(23-25-21)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13,24H,14H2
InChIKeyIASMFSCKZATQIH-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.70
Rot. Bonds4

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

4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028416) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028416
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Cc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C21H16N2O2/c24-19-12-10-18(11-13-19)21-22-20(23-25-21)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13,24H,14H2
InChIKeyIASMFSCKZATQIH-UHFFFAOYSA-N
XLogP4.70
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 137028416) is 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc(Cc4ccccc4)cc3)no2)cc1.
What is the InChIKey of 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is IASMFSCKZATQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-19-12-10-18(11-13-19)21-22-20(23-25-21)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13,24H,14H2.
What are the key properties of 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 328.37 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).