3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole

C18H18N2O — CID 3359504

IUPAC3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(Cc3ccccc3)no2)cc1
InChIInChI=1S/C18H18N2O/c1-2-6-14-9-11-16(12-10-14)18-19-17(20-21-18)13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3
InChIKeyJKCHFDUXNIKNPQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.28
Rot. Bonds5

About 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole

3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole (PubChem CID 3359504) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
PubChem CID3359504
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(Cc3ccccc3)no2)cc1
InChIInChI=1S/C18H18N2O/c1-2-6-14-9-11-16(12-10-14)18-19-17(20-21-18)13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3
InChIKeyJKCHFDUXNIKNPQ-UHFFFAOYSA-N
XLogP4.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole (CID 3359504) is 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole is CCCc1ccc(-c2nc(Cc3ccccc3)no2)cc1.
What is the InChIKey of 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole?
The InChIKey is JKCHFDUXNIKNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-6-14-9-11-16(12-10-14)18-19-17(20-21-18)13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3.
What are the key properties of 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole?
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole has a molecular weight of 278.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3359504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).