3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole

C21H26N2O — CID 71554327

IUPAC3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole
SMILESCCCCN1C(Cc2ccccc2)=NOC1(C)Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-3-4-15-23-20(16-18-11-7-5-8-12-18)22-24-21(23,2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeySRCZTWNWPXURGI-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.63
Rot. Bonds7

About 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole

3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole (PubChem CID 71554327) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole
PubChem CID71554327
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole
SMILESCCCCN1C(Cc2ccccc2)=NOC1(C)Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-3-4-15-23-20(16-18-11-7-5-8-12-18)22-24-21(23,2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeySRCZTWNWPXURGI-UHFFFAOYSA-N
XLogP4.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 15257616
5-Benzyl-4-butyl-3-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 89515446
5-Benzyl-3-(2-fluorophenyl)-5-methyl-4-(2-methylpropyl)-1,2,4-oxadiazole
CID 89515672
3-(4-Methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole
CID 25241892
3,4-Diphenyl-5-methyl-5-pyrrolidinyl isoxazoline
CID 56953693
4-[5-Benzyl-5-methyl-4-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]benzonitrile
CID 71554326
4-(5-Benzyl-4-butyl-5-methyl-1,2,4-oxadiazol-3-yl)benzonitrile
CID 71554329
5-Benzyl-5-methyl-4-(2-methylpropyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 89515424
5-Benzyl-4-butyl-5-methyl-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 89515687
5-Benzyl-5-methyl-4-(2-methylpropyl)-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 89515693
5-Benzyl-4-butyl-5-methyl-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 89518197

Frequently Asked Questions

What is the IUPAC name of 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole (CID 71554327) is 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole is CCCCN1C(Cc2ccccc2)=NOC1(C)Cc1ccccc1.
What is the InChIKey of 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole?
The InChIKey is SRCZTWNWPXURGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-4-15-23-20(16-18-11-7-5-8-12-18)22-24-21(23,2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole?
3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole has a molecular weight of 322.45 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 71554327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).