6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine

C20H10N4O2S — CID 123689035

IUPAC6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cc(-c2ccc(-c3cnc4ocnc4c3)c3scnc23)c2ocnc2c1
InChIInChI=1S/C20H10N4O2S/c1-2-14(18-15(3-1)22-8-25-18)13-5-4-12(19-17(13)24-10-27-19)11-6-16-20(21-7-11)26-9-23-16/h1-10H
InChIKeyACLHKMVAVYLGOH-UHFFFAOYSA-N
MW370.39 g/mol
LogP5.31
Rot. Bonds2

About 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine

6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 123689035) has the molecular formula C20H10N4O2S and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID123689035
Molecular FormulaC20H10N4O2S
Molecular Weight370.39 g/mol
Exact Mass370.05
IUPAC Name6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cc(-c2ccc(-c3cnc4ocnc4c3)c3scnc23)c2ocnc2c1
InChIInChI=1S/C20H10N4O2S/c1-2-14(18-15(3-1)22-8-25-18)13-5-4-12(19-17(13)24-10-27-19)11-6-16-20(21-7-11)26-9-23-16/h1-10H
InChIKeyACLHKMVAVYLGOH-UHFFFAOYSA-N
XLogP5.31
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

2-(6'-(Benzo[d]thiazol-2-yl)-3,3'-bipyridin-6-yl)benzo[d]oxazole
CID 56943829
2-[4-[4-[4-([1,3]Thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 58803486
7-[2-(1,3-Benzothiazol-2-yl)-1,3-benzothiazol-4-yl]-2-(1,3-benzoxazol-6-yl)-1,3-benzoxazole
CID 90843523
6-(5-Thieno[2,3-b]pyridin-2-yl-1,3-benzothiazol-2-yl)-1,3-benzoxazole
CID 137391399
7-Methyl-5-[7-methyl-6-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 155467699
7-Methyl-6-[7-methyl-6-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 155467703
7-Methyl-6-[7-methyl-5-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 156289689
1,4-Ditert-butylbenzene;bis(4,7-ditert-butyl-1,3-benzothiazole);bis(4,7-ditert-butyl-1,3-benzoxazole);ethane
CID 157089508
2-Phenyl-10-(5-triphenylen-2-ylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(2-triphenylen-2-ylquinolin-4-yl)naphtho[2,1-g][1,3]benzoxazole;2-pyridin-2-yl-10-(4-triphenylen-2-ylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazole
CID 157703264
Bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-phenyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene;5-(2,2,4,4-tetramethylpentan-3-yl)-1,3-benzoxazole;3-(2,2,4,4-tetramethylpentan-3-yl)pyridine
CID 162303927
10-(3-Chrysen-6-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(5-triphenylen-2-ylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzothiazole;2-pyridin-2-yl-10-(4-triphenylen-2-ylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazole
CID 164142702
4-[1-(4-Tert-butyl-1,3-benzothiazol-7-yl)-2-methylpropan-2-yl]-1,3-benzoxazole
CID 167294356

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine (CID 123689035) is 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine is c1cc(-c2ccc(-c3cnc4ocnc4c3)c3scnc23)c2ocnc2c1.
What is the InChIKey of 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ACLHKMVAVYLGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4O2S/c1-2-14(18-15(3-1)22-8-25-18)13-5-4-12(19-17(13)24-10-27-19)11-6-16-20(21-7-11)26-9-23-16/h1-10H.
What are the key properties of 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine?
6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 370.39 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-benzoxazol-7-yl)-1,3-benzothiazol-7-yl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 123689035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).