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

C17H23N3O2 — CID 53192036

IUPAC5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCCC2c2nc(C(C)C)no2)cc1
InChIInChI=1S/C17H23N3O2/c1-12(2)16-18-17(22-19-16)15-5-4-10-20(15)11-13-6-8-14(21-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyYALYFOAYJXRKHE-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.54
Rot. Bonds5

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

5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 53192036) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID53192036
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCCC2c2nc(C(C)C)no2)cc1
InChIInChI=1S/C17H23N3O2/c1-12(2)16-18-17(22-19-16)15-5-4-10-20(15)11-13-6-8-14(21-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyYALYFOAYJXRKHE-UHFFFAOYSA-N
XLogP3.54
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 53192036) is 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is COc1ccc(CN2CCCC2c2nc(C(C)C)no2)cc1.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is YALYFOAYJXRKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)16-18-17(22-19-16)15-5-4-10-20(15)11-13-6-8-14(21-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53192036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).