3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C17H21N3O2 — CID 42945402

IUPAC3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(C2CCCN2Cc2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H21N3O2/c1-21-14-8-6-12(7-9-14)15-3-2-10-20(15)11-16-18-17(19-22-16)13-4-5-13/h6-9,13,15H,2-5,10-11H2,1H3
InChIKeyWGEGYPVEFBAEGN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.29
Rot. Bonds5

About 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 42945402) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID42945402
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(C2CCCN2Cc2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H21N3O2/c1-21-14-8-6-12(7-9-14)15-3-2-10-20(15)11-16-18-17(19-22-16)13-4-5-13/h6-9,13,15H,2-5,10-11H2,1H3
InChIKeyWGEGYPVEFBAEGN-UHFFFAOYSA-N
XLogP3.29
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 42945402) is 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is COc1ccc(C2CCCN2Cc2nc(C3CC3)no2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WGEGYPVEFBAEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-14-8-6-12(7-9-14)15-3-2-10-20(15)11-16-18-17(19-22-16)13-4-5-13/h6-9,13,15H,2-5,10-11H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 299.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42945402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).