5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole

C15H19N3O — CID 167920358

IUPAC5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESCC(Cc1nc(N2CCCC2)no1)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(13-7-3-2-4-8-13)11-14-16-15(17-19-14)18-9-5-6-10-18/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyFBNPFVMSVJZQIN-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.02
Rot. Bonds4

About 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole

5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (PubChem CID 167920358) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
PubChem CID167920358
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESCC(Cc1nc(N2CCCC2)no1)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(13-7-3-2-4-8-13)11-14-16-15(17-19-14)18-9-5-6-10-18/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyFBNPFVMSVJZQIN-UHFFFAOYSA-N
XLogP3.02
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988
N-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 116809245
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
3-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527591
3-methyl-N-propyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809104
1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 116808945
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 116807937
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116809007

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (CID 167920358) is 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is CC(Cc1nc(N2CCCC2)no1)c1ccccc1.
What is the InChIKey of 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The InChIKey is FBNPFVMSVJZQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(13-7-3-2-4-8-13)11-14-16-15(17-19-14)18-9-5-6-10-18/h2-4,7-8,12H,5-6,9-11H2,1H3.
What are the key properties of 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167920358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).