5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine

C18H19N3O — CID 71256258

IUPAC5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3ccc(N4CCCCCC4)nc3o2)cc1
InChIInChI=1S/C18H19N3O/c1-2-7-13-21(12-6-1)16-11-10-15-18(20-16)22-17(19-15)14-8-4-3-5-9-14/h3-5,8-11H,1-2,6-7,12-13H2
InChIKeyTWPOSHYTJIEOQE-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.27
Rot. Bonds2

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

5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 71256258) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID71256258
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3ccc(N4CCCCCC4)nc3o2)cc1
InChIInChI=1S/C18H19N3O/c1-2-7-13-21(12-6-1)16-11-10-15-18(20-16)22-17(19-15)14-8-4-3-5-9-14/h3-5,8-11H,1-2,6-7,12-13H2
InChIKeyTWPOSHYTJIEOQE-UHFFFAOYSA-N
XLogP4.27
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine (CID 71256258) is 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine is c1ccc(-c2nc3ccc(N4CCCCCC4)nc3o2)cc1.
What is the InChIKey of 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is TWPOSHYTJIEOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-7-13-21(12-6-1)16-11-10-15-18(20-16)22-17(19-15)14-8-4-3-5-9-14/h3-5,8-11H,1-2,6-7,12-13H2.
What are the key properties of 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 293.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 71256258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).