cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

C21H27N3O3 — CID 91920820

IUPACcyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(OCCc2noc(C3CCN(C(=O)C4CCCC4)C3)n2)c1
InChIInChI=1S/C21H27N3O3/c1-15-5-4-8-18(13-15)26-12-10-19-22-20(27-23-19)17-9-11-24(14-17)21(25)16-6-2-3-7-16/h4-5,8,13,16-17H,2-3,6-7,9-12,14H2,1H3
InChIKeyWXPXMGRUMQDPJU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.51
Rot. Bonds6

About cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 91920820) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID91920820
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Namecyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(OCCc2noc(C3CCN(C(=O)C4CCCC4)C3)n2)c1
InChIInChI=1S/C21H27N3O3/c1-15-5-4-8-18(13-15)26-12-10-19-22-20(27-23-19)17-9-11-24(14-17)21(25)16-6-2-3-7-16/h4-5,8,13,16-17H,2-3,6-7,9-12,14H2,1H3
InChIKeyWXPXMGRUMQDPJU-UHFFFAOYSA-N
XLogP3.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 91920820) is cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is Cc1cccc(OCCc2noc(C3CCN(C(=O)C4CCCC4)C3)n2)c1.
What is the InChIKey of cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is WXPXMGRUMQDPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-5-4-8-18(13-15)26-12-10-19-22-20(27-23-19)17-9-11-24(14-17)21(25)16-6-2-3-7-16/h4-5,8,13,16-17H,2-3,6-7,9-12,14H2,1H3.
What are the key properties of cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91920820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).