2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine

C17H16ClN3O — CID 71256276

IUPAC2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESClc1ccccc1-c1nc2ccc(N3CCCCC3)nc2o1
InChIInChI=1S/C17H16ClN3O/c18-13-7-3-2-6-12(13)16-19-14-8-9-15(20-17(14)22-16)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-11H2
InChIKeyWWHKQEBVMYLQSW-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.53
Rot. Bonds2

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

2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 71256276) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID71256276
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESClc1ccccc1-c1nc2ccc(N3CCCCC3)nc2o1
InChIInChI=1S/C17H16ClN3O/c18-13-7-3-2-6-12(13)16-19-14-8-9-15(20-17(14)22-16)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-11H2
InChIKeyWWHKQEBVMYLQSW-UHFFFAOYSA-N
XLogP4.53
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (CID 71256276) is 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is Clc1ccccc1-c1nc2ccc(N3CCCCC3)nc2o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is WWHKQEBVMYLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-13-7-3-2-6-12(13)16-19-14-8-9-15(20-17(14)22-16)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-11H2.
What are the key properties of 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 313.79 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 71256276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).