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

C15H19N3O — CID 63144177

IUPAC3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccccc3)no2)CCNC1
InChIInChI=1S/C15H19N3O/c1-2-8-15(9-10-16-11-15)14-17-13(18-19-14)12-6-4-3-5-7-12/h3-7,16H,2,8-11H2,1H3
InChIKeyTYYJCIUNMVREBW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds4

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

3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63144177) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63144177
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccccc3)no2)CCNC1
InChIInChI=1S/C15H19N3O/c1-2-8-15(9-10-16-11-15)14-17-13(18-19-14)12-6-4-3-5-7-12/h3-7,16H,2,8-11H2,1H3
InChIKeyTYYJCIUNMVREBW-UHFFFAOYSA-N
XLogP2.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 63144302
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137750
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 63125978
3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144833
5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 63145223
5-(3-ethylpyrrolidin-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55165560
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-(butan-2-ylsulfanylmethyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65137263
4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid
CID 82625991

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63144177) is 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(-c3ccccc3)no2)CCNC1.
What is the InChIKey of 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is TYYJCIUNMVREBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-8-15(9-10-16-11-15)14-17-13(18-19-14)12-6-4-3-5-7-12/h3-7,16H,2,8-11H2,1H3.
What are the key properties of 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63144177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).