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

C18H24N4O3 — CID 71880696

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc(CCNC(=O)CN2CCCC2c2noc(C)n2)c1
InChIInChI=1S/C18H24N4O3/c1-13-20-18(21-25-13)16-7-4-10-22(16)12-17(23)19-9-8-14-5-3-6-15(11-14)24-2/h3,5-6,11,16H,4,7-10,12H2,1-2H3,(H,19,23)
InChIKeyOKZWGDXOKXYHMN-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.88
Rot. Bonds7

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

N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide (PubChem CID 71880696) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
PubChem CID71880696
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc(CCNC(=O)CN2CCCC2c2noc(C)n2)c1
InChIInChI=1S/C18H24N4O3/c1-13-20-18(21-25-13)16-7-4-10-22(16)12-17(23)19-9-8-14-5-3-6-15(11-14)24-2/h3,5-6,11,16H,4,7-10,12H2,1-2H3,(H,19,23)
InChIKeyOKZWGDXOKXYHMN-UHFFFAOYSA-N
XLogP1.88
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide (CID 71880696) is N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide is COc1cccc(CCNC(=O)CN2CCCC2c2noc(C)n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is OKZWGDXOKXYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-20-18(21-25-13)16-7-4-10-22(16)12-17(23)19-9-8-14-5-3-6-15(11-14)24-2/h3,5-6,11,16H,4,7-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide?
N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 71880696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).