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

C15H18N4OS — CID 103594858

IUPAC5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
SMILESCN1CCSCC1c1noc(-c2ccc3c(c2)CNC3)n1
InChIInChI=1S/C15H18N4OS/c1-19-4-5-21-9-13(19)14-17-15(20-18-14)10-2-3-11-7-16-8-12(11)6-10/h2-3,6,13,16H,4-5,7-9H2,1H3
InChIKeyAUICOCKDMJYUGQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.06
Rot. Bonds2

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

5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole (PubChem CID 103594858) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
PubChem CID103594858
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
SMILESCN1CCSCC1c1noc(-c2ccc3c(c2)CNC3)n1
InChIInChI=1S/C15H18N4OS/c1-19-4-5-21-9-13(19)14-17-15(20-18-14)10-2-3-11-7-16-8-12(11)6-10/h2-3,6,13,16H,4-5,7-9H2,1H3
InChIKeyAUICOCKDMJYUGQ-UHFFFAOYSA-N
XLogP2.06
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole (CID 103594858) is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole is CN1CCSCC1c1noc(-c2ccc3c(c2)CNC3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole?
The InChIKey is AUICOCKDMJYUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19-4-5-21-9-13(19)14-17-15(20-18-14)10-2-3-11-7-16-8-12(11)6-10/h2-3,6,13,16H,4-5,7-9H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole has a molecular weight of 302.40 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103594858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).