3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

C16H14N4OS — CID 154838533

IUPAC3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1ncc(-c2nc(-c3cccc4[nH]ccc34)no2)s1
InChIInChI=1S/C16H14N4OS/c1-2-4-14-18-9-13(22-14)16-19-15(20-21-16)11-5-3-6-12-10(11)7-8-17-12/h3,5-9,17H,2,4H2,1H3
InChIKeyUNIHHCSHRVOOGU-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.29
Rot. Bonds4

About 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 154838533) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID154838533
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1ncc(-c2nc(-c3cccc4[nH]ccc34)no2)s1
InChIInChI=1S/C16H14N4OS/c1-2-4-14-18-9-13(22-14)16-19-15(20-21-16)11-5-3-6-12-10(11)7-8-17-12/h3,5-9,17H,2,4H2,1H3
InChIKeyUNIHHCSHRVOOGU-UHFFFAOYSA-N
XLogP4.29
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CID 154838533) is 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is CCCc1ncc(-c2nc(-c3cccc4[nH]ccc34)no2)s1.
What is the InChIKey of 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is UNIHHCSHRVOOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-2-4-14-18-9-13(22-14)16-19-15(20-21-16)11-5-3-6-12-10(11)7-8-17-12/h3,5-9,17H,2,4H2,1H3.
What are the key properties of 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 310.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154838533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).