2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole

C16H14N2O2 — CID 865999

IUPAC2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-2-19-14-10-8-13(9-11-14)16-18-17-15(20-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyMJADXEDMKKDCRI-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.80
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole

2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 865999) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID865999
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-2-19-14-10-8-13(9-11-14)16-18-17-15(20-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyMJADXEDMKKDCRI-UHFFFAOYSA-N
XLogP3.80
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.80
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-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
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-[(3-fluorobenzyl)thio]-1,3,4-oxadiazole
CID 44590237
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590238
Oxadiazole derivative, 20i
CID 44590275
Oxadiazole derivative, 20h
CID 44590376
5-[[[5-(2,3-Dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-methoxybenzonitrile
CID 44590378
Oxadiazole derivative, 20m
CID 44590379

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole (CID 865999) is 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MJADXEDMKKDCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-19-14-10-8-13(9-11-14)16-18-17-15(20-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole?
2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 865999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).