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

C14H11N3OS — CID 43097684

IUPAC5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(C3Cc4ccccc4N3)n2)c1
InChIInChI=1S/C14H11N3OS/c1-2-5-10-9(4-1)8-11(15-10)14-16-13(17-18-14)12-6-3-7-19-12/h1-7,11,15H,8H2
InChIKeyHACOSAQHTVSZMX-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.51
Rot. Bonds2

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

5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 43097684) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID43097684
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(C3Cc4ccccc4N3)n2)c1
InChIInChI=1S/C14H11N3OS/c1-2-5-10-9(4-1)8-11(15-10)14-16-13(17-18-14)12-6-3-7-19-12/h1-7,11,15H,8H2
InChIKeyHACOSAQHTVSZMX-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 43097684) is 5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2noc(C3Cc4ccccc4N3)n2)c1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is HACOSAQHTVSZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-2-5-10-9(4-1)8-11(15-10)14-16-13(17-18-14)12-6-3-7-19-12/h1-7,11,15H,8H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 269.33 g/mol, XLogP of 3.51, 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-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43097684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).