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

C15H10FN3O — CID 44554966

IUPAC5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1ccc2cc(-c3nc4ccc(F)nc4o3)ccc21
InChIInChI=1S/C15H10FN3O/c1-19-7-6-9-8-10(2-4-12(9)19)14-17-11-3-5-13(16)18-15(11)20-14/h2-8H,1H3
InChIKeyOKVULDCXODWSFZ-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.52
Rot. Bonds1

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

5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44554966) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44554966
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1ccc2cc(-c3nc4ccc(F)nc4o3)ccc21
InChIInChI=1S/C15H10FN3O/c1-19-7-6-9-8-10(2-4-12(9)19)14-17-11-3-5-13(16)18-15(11)20-14/h2-8H,1H3
InChIKeyOKVULDCXODWSFZ-UHFFFAOYSA-N
XLogP3.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
[4-(5-Fluoro-oxazolo[5,4-b]pyridine-2-yl)-phenyl]-methyl-amine
CID 44545776
[4-(5-Fluoro-oxazolo[5,4-b]pyridin-2-yl)-phenyl]-dimethyl-amine
CID 44555120
5-fluoro-2-(1H-indol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44555125
5-Fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44555289
5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44555290
1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 46934727
[1-Benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
CID 46934728
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enyl-N-pyridin-4-ylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 49864462
2-[4-[4-[(6-Fluoro-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-1,3-benzoxazole
CID 71292341
Benzonitrile, o-(2-oxazolo(5,4-b)pyridinyl)-
CID 40321
Oxazolo(5,4-b)pyridine, 2-(2-fluorophenyl)-
CID 3040488

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 44554966) is 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine is Cn1ccc2cc(-c3nc4ccc(F)nc4o3)ccc21.
What is the InChIKey of 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is OKVULDCXODWSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c1-19-7-6-9-8-10(2-4-12(9)19)14-17-11-3-5-13(16)18-15(11)20-14/h2-8H,1H3.
What are the key properties of 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 267.26 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44554966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).