2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole

C19H20N2O3 — CID 863663

IUPAC2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)12-23-17-10-6-15(7-11-17)19-21-20-18(24-19)14-4-8-16(22-3)9-5-14/h4-11,13H,12H2,1-3H3
InChIKeyFVBMVBGXWXJKQQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 863663) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
PubChem CID863663
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)12-23-17-10-6-15(7-11-17)19-21-20-18(24-19)14-4-8-16(22-3)9-5-14/h4-11,13H,12H2,1-3H3
InChIKeyFVBMVBGXWXJKQQ-UHFFFAOYSA-N
XLogP4.45
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-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
Oxadiazole derivative, 20h
CID 44590376
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole
CID 44590380
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(3-fluoro-4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590954
Oxadiazole derivative, 20a
CID 44590955
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
4-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 1380741

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole (CID 863663) is 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is FVBMVBGXWXJKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(2)12-23-17-10-6-15(7-11-17)19-21-20-18(24-19)14-4-8-16(22-3)9-5-14/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 863663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).