5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole

C15H19N3O2 — CID 79369012

IUPAC5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(CCOc2ccccc2)no1
InChIInChI=1S/C15H19N3O2/c1-11-13(7-9-16-11)15-17-14(18-20-15)8-10-19-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3
InChIKeySIWGNBAASIETAQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.16
Rot. Bonds5

About 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole

5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole (PubChem CID 79369012) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
PubChem CID79369012
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(CCOc2ccccc2)no1
InChIInChI=1S/C15H19N3O2/c1-11-13(7-9-16-11)15-17-14(18-20-15)8-10-19-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3
InChIKeySIWGNBAASIETAQ-UHFFFAOYSA-N
XLogP2.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole (CID 79369012) is 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole is CC1NCCC1c1nc(CCOc2ccccc2)no1.
What is the InChIKey of 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole?
The InChIKey is SIWGNBAASIETAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-13(7-9-16-11)15-17-14(18-20-15)8-10-19-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3.
What are the key properties of 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole?
5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79369012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).