3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole

C14H9N3OS — CID 167771685

IUPAC3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESc1ccc2[nH]c(-c3nc(-c4ccon4)cs3)cc2c1
InChIInChI=1S/C14H9N3OS/c1-2-4-10-9(3-1)7-12(15-10)14-16-13(8-19-14)11-5-6-18-17-11/h1-8,15H
InChIKeyDQBOYZYYLUWDTL-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.95
Rot. Bonds2

About 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole

3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 167771685) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID167771685
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESc1ccc2[nH]c(-c3nc(-c4ccon4)cs3)cc2c1
InChIInChI=1S/C14H9N3OS/c1-2-4-10-9(3-1)7-12(15-10)14-16-13(8-19-14)11-5-6-18-17-11/h1-8,15H
InChIKeyDQBOYZYYLUWDTL-UHFFFAOYSA-N
XLogP3.95
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole (CID 167771685) is 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole is c1ccc2[nH]c(-c3nc(-c4ccon4)cs3)cc2c1.
What is the InChIKey of 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is DQBOYZYYLUWDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-2-4-10-9(3-1)7-12(15-10)14-16-13(8-19-14)11-5-6-18-17-11/h1-8,15H.
What are the key properties of 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole?
3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 267.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 167771685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).