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

C15H13N3OS — CID 103999501

IUPAC5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2noc(-c3ccc4c(c3)CNC4)n2)c1
InChIInChI=1S/C15H13N3OS/c1-2-13(20-5-1)7-14-17-15(19-18-14)10-3-4-11-8-16-9-12(11)6-10/h1-6,16H,7-9H2
InChIKeyFNMYIBACYPZGCV-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.99
Rot. Bonds3

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

5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 103999501) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID103999501
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2noc(-c3ccc4c(c3)CNC4)n2)c1
InChIInChI=1S/C15H13N3OS/c1-2-13(20-5-1)7-14-17-15(19-18-14)10-3-4-11-8-16-9-12(11)6-10/h1-6,16H,7-9H2
InChIKeyFNMYIBACYPZGCV-UHFFFAOYSA-N
XLogP2.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
2-[4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 62500649
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-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806663
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 103999564
5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 120837199
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 103999480
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 103999553
3,6-dichloro-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050703
3-fluoro-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62500647
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594858

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 103999501) is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is c1csc(Cc2noc(-c3ccc4c(c3)CNC4)n2)c1.
What is the InChIKey of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is FNMYIBACYPZGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-13(20-5-1)7-14-17-15(19-18-14)10-3-4-11-8-16-9-12(11)6-10/h1-6,16H,7-9H2.
What are the key properties of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 2.99, 3 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-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103999501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).