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

C16H19N3O — CID 103999480

IUPAC3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(C3CCCCC3)no1)CNC2
InChIInChI=1S/C16H19N3O/c1-2-4-11(5-3-1)15-18-16(20-19-15)12-6-7-13-9-17-10-14(13)8-12/h6-8,11,17H,1-5,9-10H2
InChIKeyWGXILCHNZPFMPS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.39
Rot. Bonds2

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

3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole (PubChem CID 103999480) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
PubChem CID103999480
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(C3CCCCC3)no1)CNC2
InChIInChI=1S/C16H19N3O/c1-2-4-11(5-3-1)15-18-16(20-19-15)12-6-7-13-9-17-10-14(13)8-12/h6-8,11,17H,1-5,9-10H2
InChIKeyWGXILCHNZPFMPS-UHFFFAOYSA-N
XLogP3.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 103999553
2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806663
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)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 103999564
3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
CID 113382393
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594858
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 65390325
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 103999555
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole (CID 103999480) is 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole is c1cc2c(cc1-c1nc(C3CCCCC3)no1)CNC2.
What is the InChIKey of 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole?
The InChIKey is WGXILCHNZPFMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-11(5-3-1)15-18-16(20-19-15)12-6-7-13-9-17-10-14(13)8-12/h6-8,11,17H,1-5,9-10H2.
What are the key properties of 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole?
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole has a molecular weight of 269.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103999480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).