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

C21H16N2O2 — CID 135985215

IUPAC4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
SMILESCc1ccc(-c2nnc(-c3ccc(-c4ccc(O)cc4)cc3)o2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-2-4-17(5-3-14)20-22-23-21(25-20)18-8-6-15(7-9-18)16-10-12-19(24)13-11-16/h2-13,24H,1H3
InChIKeySFMSJYGXQUAMQU-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.08
Rot. Bonds3

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

4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol (PubChem CID 135985215) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
PubChem CID135985215
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
SMILESCc1ccc(-c2nnc(-c3ccc(-c4ccc(O)cc4)cc3)o2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-2-4-17(5-3-14)20-22-23-21(25-20)18-8-6-15(7-9-18)16-10-12-19(24)13-11-16/h2-13,24H,1H3
InChIKeySFMSJYGXQUAMQU-UHFFFAOYSA-N
XLogP5.08
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol
CID 172676237
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135860745
ethane;4-(4-methylphenyl)phenol
CID 161379556
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 20603457
4-methylphenol
CID 70549076
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694939
2,6-ditert-butyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694940
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
4-methylphenol;hydrate
CID 71777661
bis(4-methylphenol);tetrahydrochloride
CID 175346853
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol?
The IUPAC name of 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol (CID 135985215) is 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol.
What is the SMILES notation for 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol is Cc1ccc(-c2nnc(-c3ccc(-c4ccc(O)cc4)cc3)o2)cc1.
What is the InChIKey of 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol?
The InChIKey is SFMSJYGXQUAMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-2-4-17(5-3-14)20-22-23-21(25-20)18-8-6-15(7-9-18)16-10-12-19(24)13-11-16/h2-13,24H,1H3.
What are the key properties of 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol?
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol has a molecular weight of 328.37 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol is sourced from PubChem (CID 135985215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).