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

C15H17N5O2 — CID 56780464

IUPAC3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cnn(CC2CCCN2Cc2nc(-c3ccoc3)no2)c1
InChIInChI=1S/C15H17N5O2/c1-3-13(9-20-7-2-5-16-20)19(6-1)10-14-17-15(18-22-14)12-4-8-21-11-12/h2,4-5,7-8,11,13H,1,3,6,9-10H2
InChIKeyICQVVHYBEXABIU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.19
Rot. Bonds5

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

3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780464) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780464
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cnn(CC2CCCN2Cc2nc(-c3ccoc3)no2)c1
InChIInChI=1S/C15H17N5O2/c1-3-13(9-20-7-2-5-16-20)19(6-1)10-14-17-15(18-22-14)12-4-8-21-11-12/h2,4-5,7-8,11,13H,1,3,6,9-10H2
InChIKeyICQVVHYBEXABIU-UHFFFAOYSA-N
XLogP2.19
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780464) is 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is c1cnn(CC2CCCN2Cc2nc(-c3ccoc3)no2)c1.
What is the InChIKey of 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ICQVVHYBEXABIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-13(9-20-7-2-5-16-20)19(6-1)10-14-17-15(18-22-14)12-4-8-21-11-12/h2,4-5,7-8,11,13H,1,3,6,9-10H2.
What are the key properties of 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 299.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).