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

C17H16ClN3O — CID 71256270

IUPAC2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESClc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1
InChIInChI=1S/C17H16ClN3O/c18-13-6-4-5-12(11-13)16-19-14-7-8-15(20-17(14)22-16)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10H2
InChIKeyVMGMBMKDGCPCOA-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.53
Rot. Bonds2

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

2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 71256270) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID71256270
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESClc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1
InChIInChI=1S/C17H16ClN3O/c18-13-6-4-5-12(11-13)16-19-14-7-8-15(20-17(14)22-16)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10H2
InChIKeyVMGMBMKDGCPCOA-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-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (CID 71256270) is 2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is Clc1cccc(-c2nc3ccc(N4CCCCC4)nc3o2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is VMGMBMKDGCPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-13-6-4-5-12(11-13)16-19-14-7-8-15(20-17(14)22-16)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10H2.
What are the key properties of 2-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
2-(3-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-(3-chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 71256270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).