2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole

C17H11N5OS — CID 90687907

IUPAC2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole
SMILESc1c[nH]c(-c2c[nH]c3ccc(-c4nccs4)c(-c4ncco4)c23)n1
InChIInChI=1S/C17H11N5OS/c1-2-12-13(11(9-22-12)15-18-3-4-19-15)14(16-20-5-7-23-16)10(1)17-21-6-8-24-17/h1-9,22H,(H,18,19)
InChIKeyUFYGGRGKQDLUAG-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.34
Rot. Bonds3

About 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole

2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole (PubChem CID 90687907) has the molecular formula C17H11N5OS and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole
PubChem CID90687907
Molecular FormulaC17H11N5OS
Molecular Weight333.38 g/mol
Exact Mass333.07
IUPAC Name2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole
SMILESc1c[nH]c(-c2c[nH]c3ccc(-c4nccs4)c(-c4ncco4)c23)n1
InChIInChI=1S/C17H11N5OS/c1-2-12-13(11(9-22-12)15-18-3-4-19-15)14(16-20-5-7-23-16)10(1)17-21-6-8-24-17/h1-9,22H,(H,18,19)
InChIKeyUFYGGRGKQDLUAG-UHFFFAOYSA-N
XLogP4.34
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole (CID 90687907) is 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole is c1c[nH]c(-c2c[nH]c3ccc(-c4nccs4)c(-c4ncco4)c23)n1.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole?
The InChIKey is UFYGGRGKQDLUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS/c1-2-12-13(11(9-22-12)15-18-3-4-19-15)14(16-20-5-7-23-16)10(1)17-21-6-8-24-17/h1-9,22H,(H,18,19).
What are the key properties of 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole?
2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole has a molecular weight of 333.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole is sourced from PubChem (CID 90687907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).