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

C15H19N3O — CID 63317452

IUPAC5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCCc2nc(C3CCCN3)no2)cc1
InChIInChI=1S/C15H19N3O/c1-2-6-12(7-3-1)8-4-10-14-17-15(18-19-14)13-9-5-11-16-13/h1-3,6-7,13,16H,4-5,8-11H2
InChIKeyUSDOLRQHHVMNRN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.67
Rot. Bonds5

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

5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 63317452) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID63317452
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCCc2nc(C3CCCN3)no2)cc1
InChIInChI=1S/C15H19N3O/c1-2-6-12(7-3-1)8-4-10-14-17-15(18-19-14)13-9-5-11-16-13/h1-3,6-7,13,16H,4-5,8-11H2
InChIKeyUSDOLRQHHVMNRN-UHFFFAOYSA-N
XLogP2.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 65427943
5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82568309
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
3-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzoxazole
CID 104637719
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537
3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 63317306
5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 166316805
3-(azepan-2-yl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103972211

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 63317452) is 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is c1ccc(CCCc2nc(C3CCCN3)no2)cc1.
What is the InChIKey of 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is USDOLRQHHVMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-6-12(7-3-1)8-4-10-14-17-15(18-19-14)13-9-5-11-16-13/h1-3,6-7,13,16H,4-5,8-11H2.
What are the key properties of 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63317452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).