2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine

C16H14FN3O — CID 71256301

IUPAC2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc(-c2nc3ccc(N4CCCC4)nc3o2)cc1
InChIInChI=1S/C16H14FN3O/c17-12-5-3-11(4-6-12)15-18-13-7-8-14(19-16(13)21-15)20-9-1-2-10-20/h3-8H,1-2,9-10H2
InChIKeyLRLLHNLPIJYNKS-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.63
Rot. Bonds2

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

2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 71256301) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID71256301
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc(-c2nc3ccc(N4CCCC4)nc3o2)cc1
InChIInChI=1S/C16H14FN3O/c17-12-5-3-11(4-6-12)15-18-13-7-8-14(19-16(13)21-15)20-9-1-2-10-20/h3-8H,1-2,9-10H2
InChIKeyLRLLHNLPIJYNKS-UHFFFAOYSA-N
XLogP3.63
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (CID 71256301) is 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is Fc1ccc(-c2nc3ccc(N4CCCC4)nc3o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is LRLLHNLPIJYNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-12-5-3-11(4-6-12)15-18-13-7-8-14(19-16(13)21-15)20-9-1-2-10-20/h3-8H,1-2,9-10H2.
What are the key properties of 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 283.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 71256301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).