2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole

C23H13N3OS — CID 123231503

IUPAC2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2nc(-c3nc4cc(-c5nc6ccccc6o5)ccc4s3)ccc2c1
InChIInChI=1S/C23H13N3OS/c1-2-6-16-14(5-1)9-11-18(24-16)23-26-19-13-15(10-12-21(19)28-23)22-25-17-7-3-4-8-20(17)27-22/h1-13H
InChIKeyURPZLVPZVGWVHC-UHFFFAOYSA-N
MW379.44 g/mol
LogP6.32
Rot. Bonds2

About 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole

2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole (PubChem CID 123231503) has the molecular formula C23H13N3OS and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole
PubChem CID123231503
Molecular FormulaC23H13N3OS
Molecular Weight379.44 g/mol
Exact Mass379.08
IUPAC Name2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2nc(-c3nc4cc(-c5nc6ccccc6o5)ccc4s3)ccc2c1
InChIInChI=1S/C23H13N3OS/c1-2-6-16-14(5-1)9-11-18(24-16)23-26-19-13-15(10-12-21(19)28-23)22-25-17-7-3-4-8-20(17)27-22/h1-13H
InChIKeyURPZLVPZVGWVHC-UHFFFAOYSA-N
XLogP6.32
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(1,3-benzothiazol-2-yl)-5-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 167017597
2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
CID 56943829
2-[2-[10-[6-(1,3-benzoxazol-2-yl)quinolin-2-yl]anthracen-9-yl]quinolin-6-yl]-1,3-benzoxazole
CID 90265454
2-[4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 168844879
2-[2-(1,2-benzoxazol-6-yl)-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 149489817
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenanthren-2-ylphosphoryl]phenyl]-1,3-benzoxazole
CID 118672933
2-[2-(3H-benzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 123750067
2-(3H-benzimidazol-5-yl)-5-(1,3-benzothiazol-2-yl)-1,3-benzoxazole
CID 129206911
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole
CID 175983343
2-[3-(1,3-benzoxazol-2-yl)-5-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740336

Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole (CID 123231503) is 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole is c1ccc2nc(-c3nc4cc(-c5nc6ccccc6o5)ccc4s3)ccc2c1.
What is the InChIKey of 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole?
The InChIKey is URPZLVPZVGWVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N3OS/c1-2-6-16-14(5-1)9-11-18(24-16)23-26-19-13-15(10-12-21(19)28-23)22-25-17-7-3-4-8-20(17)27-22/h1-13H.
What are the key properties of 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole?
2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole has a molecular weight of 379.44 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 123231503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).