2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole

C16H14N2O2 — CID 622283

IUPAC2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-3-5-12(6-4-11)15-17-18-16(20-15)13-7-9-14(19-2)10-8-13/h3-10H,1-2H3
InChIKeyUYXLZQXWQMBYSA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.72
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 622283) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID622283
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-3-5-12(6-4-11)15-17-18-16(20-15)13-7-9-14(19-2)10-8-13/h3-10H,1-2H3
InChIKeyUYXLZQXWQMBYSA-UHFFFAOYSA-N
XLogP3.72
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74643
2-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46227022
2-(4-Methoxyphenyl)-1,3,4-oxadiazole
CID 766687
2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590238
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole
CID 44590380
Oxadiazole derivative, 20a
CID 44590955
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
2-(4-Methoxybenzyl)-5-phenyl-1,3,4-oxadiazole
CID 13004922
2-[4-[(4-Fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 2740991
2-(4-Methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole
CID 96848

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 622283) is 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is UYXLZQXWQMBYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-3-5-12(6-4-11)15-17-18-16(20-15)13-7-9-14(19-2)10-8-13/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 622283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).