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

C13H7FN2O3 — CID 44555119

IUPAC2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc2nc(-c3ccc4c(c3)OCO4)oc2n1
InChIInChI=1S/C13H7FN2O3/c14-11-4-2-8-13(16-11)19-12(15-8)7-1-3-9-10(5-7)18-6-17-9/h1-5H,6H2
InChIKeyNEUWLAUEEFUZRF-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.76
Rot. Bonds1

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

2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44555119) has the molecular formula C13H7FN2O3 and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44555119
Molecular FormulaC13H7FN2O3
Molecular Weight258.21 g/mol
Exact Mass258.04
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc2nc(-c3ccc4c(c3)OCO4)oc2n1
InChIInChI=1S/C13H7FN2O3/c14-11-4-2-8-13(16-11)19-12(15-8)7-1-3-9-10(5-7)18-6-17-9/h1-5H,6H2
InChIKeyNEUWLAUEEFUZRF-UHFFFAOYSA-N
XLogP2.76
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.76
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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Related Compounds

5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
CID 44555284
2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
CID 58220164
5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-carbonitrile
CID 154190788
2-[6-(1,3-benzodioxol-5-yl)-1,3-benzoxazol-2-yl]-6-fluorophenol
CID 136749194
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]acetonitrile
CID 82084841
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-amine
CID 63692453
2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
5-(1,3-benzodioxol-5-yl)-3-iodo-1,2,4-oxadiazole
CID 112572224
6-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)-1,3-benzoxazole
CID 46089152
2-(1,3-benzodioxol-5-yl)-4-tert-butyl-1,3-oxazole-5-carboxylic acid
CID 114373044
2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46847383

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine (CID 44555119) is 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine is Fc1ccc2nc(-c3ccc4c(c3)OCO4)oc2n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is NEUWLAUEEFUZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O3/c14-11-4-2-8-13(16-11)19-12(15-8)7-1-3-9-10(5-7)18-6-17-9/h1-5H,6H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 258.21 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44555119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).