3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C18H19N3O2 — CID 42946131

IUPAC3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C2CCCN2Cc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C18H19N3O2/c1-13-6-8-14(9-7-13)15-4-2-10-21(15)12-17-19-18(20-23-17)16-5-3-11-22-16/h3,5-9,11,15H,2,4,10,12H2,1H3
InChIKeyAHXPYYQMJZCRAV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.98
Rot. Bonds4

About 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 42946131) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID42946131
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C2CCCN2Cc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C18H19N3O2/c1-13-6-8-14(9-7-13)15-4-2-10-21(15)12-17-19-18(20-23-17)16-5-3-11-22-16/h3,5-9,11,15H,2,4,10,12H2,1H3
InChIKeyAHXPYYQMJZCRAV-UHFFFAOYSA-N
XLogP3.98
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 42946131) is 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1ccc(C2CCCN2Cc2nc(-c3ccco3)no2)cc1.
What is the InChIKey of 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is AHXPYYQMJZCRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-6-8-14(9-7-13)15-4-2-10-21(15)12-17-19-18(20-23-17)16-5-3-11-22-16/h3,5-9,11,15H,2,4,10,12H2,1H3.
What are the key properties of 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42946131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).