3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H19N3O2 — CID 79372354

IUPAC3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(C2CCNC2C)n1
InChIInChI=1S/C15H19N3O2/c1-10-12(7-8-16-10)15-17-14(18-20-15)9-11-5-3-4-6-13(11)19-2/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyAYXLHLGNMRHSPC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.13
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 79372354) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID79372354
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(C2CCNC2C)n1
InChIInChI=1S/C15H19N3O2/c1-10-12(7-8-16-10)15-17-14(18-20-15)9-11-5-3-4-6-13(11)19-2/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyAYXLHLGNMRHSPC-UHFFFAOYSA-N
XLogP2.13
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 79372354) is 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is COc1ccccc1Cc1noc(C2CCNC2C)n1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is AYXLHLGNMRHSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-12(7-8-16-10)15-17-14(18-20-15)9-11-5-3-4-6-13(11)19-2/h3-6,10,12,16H,7-9H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79372354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).