3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

C15H18BrN3O — CID 106977880

IUPAC3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccc(Br)cc3)no2)CCCN1
InChIInChI=1S/C15H18BrN3O/c1-2-8-15(9-3-10-17-15)14-18-13(19-20-14)11-4-6-12(16)7-5-11/h4-7,17H,2-3,8-10H2,1H3
InChIKeyWFFZTYHZQMCWHH-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.88
Rot. Bonds4

About 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 106977880) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID106977880
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccc(Br)cc3)no2)CCCN1
InChIInChI=1S/C15H18BrN3O/c1-2-8-15(9-3-10-17-15)14-18-13(19-20-14)11-4-6-12(16)7-5-11/h4-7,17H,2-3,8-10H2,1H3
InChIKeyWFFZTYHZQMCWHH-UHFFFAOYSA-N
XLogP3.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 106977880) is 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCCC1(c2nc(-c3ccc(Br)cc3)no2)CCCN1.
What is the InChIKey of 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is WFFZTYHZQMCWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-8-15(9-3-10-17-15)14-18-13(19-20-14)11-4-6-12(16)7-5-11/h4-7,17H,2-3,8-10H2,1H3.
What are the key properties of 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 336.23 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106977880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).