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

C18H26N4O2 — CID 71928486

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
SMILESCCc1nc(CN(C)C2CCN(CCOc3ccccc3)C2)no1
InChIInChI=1S/C18H26N4O2/c1-3-18-19-17(20-24-18)14-21(2)15-9-10-22(13-15)11-12-23-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3
InChIKeyTXGUNJVRDXGKOQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.22
Rot. Bonds8

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine (PubChem CID 71928486) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
PubChem CID71928486
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
SMILESCCc1nc(CN(C)C2CCN(CCOc3ccccc3)C2)no1
InChIInChI=1S/C18H26N4O2/c1-3-18-19-17(20-24-18)14-21(2)15-9-10-22(13-15)11-12-23-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3
InChIKeyTXGUNJVRDXGKOQ-UHFFFAOYSA-N
XLogP2.22
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine (CID 71928486) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine is CCc1nc(CN(C)C2CCN(CCOc3ccccc3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine?
The InChIKey is TXGUNJVRDXGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-18-19-17(20-24-18)14-21(2)15-9-10-22(13-15)11-12-23-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine has a molecular weight of 330.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71928486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).