N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C17H28N4O2 — CID 154749222

IUPACN-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1noc(C)n1)C1CCN(CCC2CCCC2)C1
InChIInChI=1S/C17H28N4O2/c1-13-18-17(19-23-13)12-21(14(2)22)16-8-10-20(11-16)9-7-15-5-3-4-6-15/h15-16H,3-12H2,1-2H3
InChIKeyODRKCAVUAFXWBL-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.38
Rot. Bonds6

About N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 154749222) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID154749222
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1noc(C)n1)C1CCN(CCC2CCCC2)C1
InChIInChI=1S/C17H28N4O2/c1-13-18-17(19-23-13)12-21(14(2)22)16-8-10-20(11-16)9-7-15-5-3-4-6-15/h15-16H,3-12H2,1-2H3
InChIKeyODRKCAVUAFXWBL-UHFFFAOYSA-N
XLogP2.38
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 154749222) is N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CC(=O)N(Cc1noc(C)n1)C1CCN(CCC2CCCC2)C1.
What is the InChIKey of N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is ODRKCAVUAFXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-18-17(19-23-13)12-21(14(2)22)16-8-10-20(11-16)9-7-15-5-3-4-6-15/h15-16H,3-12H2,1-2H3.
What are the key properties of N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 154749222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).