5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine

C14H8FN3OS — CID 44554965

IUPAC5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1nc2ccc(-c3nc4ccc(F)nc4o3)cc2s1
InChIInChI=1S/C14H8FN3OS/c1-7-16-9-3-2-8(6-11(9)20-7)13-17-10-4-5-12(15)18-14(10)19-13/h2-6H,1H3
InChIKeyBNCMTCDCQXKJJZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.95
Rot. Bonds1

About 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine

5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44554965) has the molecular formula C14H8FN3OS and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44554965
Molecular FormulaC14H8FN3OS
Molecular Weight285.30 g/mol
Exact Mass285.04
IUPAC Name5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1nc2ccc(-c3nc4ccc(F)nc4o3)cc2s1
InChIInChI=1S/C14H8FN3OS/c1-7-16-9-3-2-8(6-11(9)20-7)13-17-10-4-5-12(15)18-14(10)19-13/h2-6H,1H3
InChIKeyBNCMTCDCQXKJJZ-UHFFFAOYSA-N
XLogP3.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 44554965) is 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine is Cc1nc2ccc(-c3nc4ccc(F)nc4o3)cc2s1.
What is the InChIKey of 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is BNCMTCDCQXKJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3OS/c1-7-16-9-3-2-8(6-11(9)20-7)13-17-10-4-5-12(15)18-14(10)19-13/h2-6H,1H3.
What are the key properties of 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 285.30 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44554965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).