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

C19H20N2O2 — CID 25256289

IUPAC3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C19H20N2O2/c1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h4-11,13H,12H2,1-3H3
InChIKeyCECHNLNTTJLENZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.61
Rot. Bonds5

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

3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole (PubChem CID 25256289) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
PubChem CID25256289
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C19H20N2O2/c1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h4-11,13H,12H2,1-3H3
InChIKeyCECHNLNTTJLENZ-UHFFFAOYSA-N
XLogP4.61
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole (CID 25256289) is 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is CECHNLNTTJLENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h4-11,13H,12H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25256289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).