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

C29H24ClN5O2 — CID 161077471

IUPAC5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESClc1ccc2nc(-c3ccccc3)oc2n1.c1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1
InChIInChI=1S/C17H17N3O.C12H7ClN2O/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;13-10-7-6-9-12(15-10)16-11(14-9)8-4-2-1-3-5-8/h1,3-4,7-10H,2,5-6,11-12H2;1-7H
InChIKeyUFLWLDNLQSVLKJ-UHFFFAOYSA-N
MW510.00 g/mol
LogP7.42
Rot. Bonds3

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

5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 161077471) has the molecular formula C29H24ClN5O2 and a molecular weight of 510.00 g/mol. Its IUPAC name is 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID161077471
Molecular FormulaC29H24ClN5O2
Molecular Weight510.00 g/mol
Exact Mass509.16
IUPAC Name5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESClc1ccc2nc(-c3ccccc3)oc2n1.c1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1
InChIInChI=1S/C17H17N3O.C12H7ClN2O/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;13-10-7-6-9-12(15-10)16-11(14-9)8-4-2-1-3-5-8/h1,3-4,7-10H,2,5-6,11-12H2;1-7H
InChIKeyUFLWLDNLQSVLKJ-UHFFFAOYSA-N
XLogP7.42
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine (CID 161077471) is 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is Clc1ccc2nc(-c3ccccc3)oc2n1.c1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1.
What is the InChIKey of 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is UFLWLDNLQSVLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.C12H7ClN2O/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;13-10-7-6-9-12(15-10)16-11(14-9)8-4-2-1-3-5-8/h1,3-4,7-10H,2,5-6,11-12H2;1-7H.
What are the key properties of 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine?
5-chloro-2-phenyl-[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 510.00 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 161077471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).