7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole

C21H12N4OS — CID 146180929

IUPAC7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole
SMILESc1cc(-c2onc3c(-c4snc5ccccc45)cccc23)c2[nH]ncc2c1
InChIInChI=1S/C21H12N4OS/c1-2-10-17-13(6-1)21(27-25-17)16-9-4-8-15-19(16)24-26-20(15)14-7-3-5-12-11-22-23-18(12)14/h1-11H,(H,22,23)
InChIKeySGMBSARMKDXXKP-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.65
Rot. Bonds2

About 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole

7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole (PubChem CID 146180929) has the molecular formula C21H12N4OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole
PubChem CID146180929
Molecular FormulaC21H12N4OS
Molecular Weight368.42 g/mol
Exact Mass368.07
IUPAC Name7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole
SMILESc1cc(-c2onc3c(-c4snc5ccccc45)cccc23)c2[nH]ncc2c1
InChIInChI=1S/C21H12N4OS/c1-2-10-17-13(6-1)21(27-25-17)16-9-4-8-15-19(16)24-26-20(15)14-7-3-5-12-11-22-23-18(12)14/h1-11H,(H,22,23)
InChIKeySGMBSARMKDXXKP-UHFFFAOYSA-N
XLogP5.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-indazol-4-yl)-2,1-benzothiazole
CID 166359807
2-(2,1-benzothiazol-3-yl)aniline
CID 14221192
3-anthracen-1-yl-2,1-benzoxazole
CID 141121933
4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole
CID 118173884
2-(1H-indazol-4-yl)quinazoline
CID 91393961
cyclopenta[c][2,1]benzoxazine
CID 70400701
2,1,3-benzoxadiazole;1H-indazole
CID 157326942
1H-[1]benzothiolo[2,3-g]indazole
CID 166069972
3-(1H-indazol-4-yl)cinnoline
CID 123409262
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole
CID 71876216
11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene
CID 155429762
3-[2-(bromomethyl)phenyl]-2,1-benzoxazole
CID 70358413

Frequently Asked Questions

What is the IUPAC name of 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole?
The IUPAC name of 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole (CID 146180929) is 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole.
What is the SMILES notation for 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole?
The canonical SMILES for 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole is c1cc(-c2onc3c(-c4snc5ccccc45)cccc23)c2[nH]ncc2c1.
What is the InChIKey of 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole?
The InChIKey is SGMBSARMKDXXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4OS/c1-2-10-17-13(6-1)21(27-25-17)16-9-4-8-15-19(16)24-26-20(15)14-7-3-5-12-11-22-23-18(12)14/h1-11H,(H,22,23).
What are the key properties of 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole?
7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole has a molecular weight of 368.42 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,1-benzothiazol-3-yl)-3-(1H-indazol-7-yl)-2,1-benzoxazole is sourced from PubChem (CID 146180929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).