2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine

C17H17N3O — CID 71256340

IUPAC2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1
InChIInChI=1S/C17H17N3O/c1-3-7-13(8-4-1)16-18-14-9-10-15(19-17(14)21-16)20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyLUVZKFPYBPAUIR-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.88
Rot. Bonds2

About 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine

2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 71256340) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID71256340
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1
InChIInChI=1S/C17H17N3O/c1-3-7-13(8-4-1)16-18-14-9-10-15(19-17(14)21-16)20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyLUVZKFPYBPAUIR-UHFFFAOYSA-N
XLogP3.88
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (CID 71256340) is 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is c1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1.
What is the InChIKey of 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is LUVZKFPYBPAUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-7-13(8-4-1)16-18-14-9-10-15(19-17(14)21-16)20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-12H2.
What are the key properties of 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 279.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 71256340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).