5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole

C14H16N4O — CID 116806663

IUPAC5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(N3CCCC3)no1)CNC2
InChIInChI=1S/C14H16N4O/c1-2-6-18(5-1)14-16-13(19-17-14)10-3-4-11-8-15-9-12(11)7-10/h3-4,7,15H,1-2,5-6,8-9H2
InChIKeyIYGUKFDPTNEPBN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.94
Rot. Bonds2

About 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole

5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (PubChem CID 116806663) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
PubChem CID116806663
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(N3CCCC3)no1)CNC2
InChIInChI=1S/C14H16N4O/c1-2-6-18(5-1)14-16-13(19-17-14)10-3-4-11-8-15-9-12(11)7-10/h3-4,7,15H,1-2,5-6,8-9H2
InChIKeyIYGUKFDPTNEPBN-UHFFFAOYSA-N
XLogP1.94
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807505
5-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-bromoaniline
CID 107813852
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 103999564
5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 167929269
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 103999480
4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594858
7-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 167960643
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 103999553
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 103999501
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 103999470
5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 102993845

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (CID 116806663) is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is c1cc2c(cc1-c1nc(N3CCCC3)no1)CNC2.
What is the InChIKey of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The InChIKey is IYGUKFDPTNEPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-6-18(5-1)14-16-13(19-17-14)10-3-4-11-8-15-9-12(11)7-10/h3-4,7,15H,1-2,5-6,8-9H2.
What are the key properties of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole has a molecular weight of 256.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116806663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).