3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole

C15H17N3OS — CID 82902403

IUPAC3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCC2c1noc(C2CSCCN2)n1
InChIInChI=1S/C15H17N3OS/c1-2-4-11-10(3-1)5-6-12(11)14-17-15(19-18-14)13-9-20-8-7-16-13/h1-4,12-13,16H,5-9H2
InChIKeyWWGHVUSPBPLVMQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.53
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole

3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (PubChem CID 82902403) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
PubChem CID82902403
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCC2c1noc(C2CSCCN2)n1
InChIInChI=1S/C15H17N3OS/c1-2-4-11-10(3-1)5-6-12(11)14-17-15(19-18-14)13-9-20-8-7-16-13/h1-4,12-13,16H,5-9H2
InChIKeyWWGHVUSPBPLVMQ-UHFFFAOYSA-N
XLogP2.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424921
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65408791
3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905089
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 63247056
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79192547
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 82904778
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473911
3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905254
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82903542
3-(1,4-dithian-2-yl)-5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104915398
3-(2,3-dihydro-1-benzofuran-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915112

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (CID 82902403) is 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is c1ccc2c(c1)CCC2c1noc(C2CSCCN2)n1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The InChIKey is WWGHVUSPBPLVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-4-11-10(3-1)5-6-12(11)14-17-15(19-18-14)13-9-20-8-7-16-13/h1-4,12-13,16H,5-9H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole has a molecular weight of 287.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82902403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).