3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C19H21N3O2 — CID 15745413

IUPAC3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c23-19-22(18-17(24-19)7-4-10-20-18)14-13-21-11-8-16(9-12-21)15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2
InChIKeyLPYJFQIYOTVKMQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.87
Rot. Bonds4

About 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 15745413) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID15745413
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c23-19-22(18-17(24-19)7-4-10-20-18)14-13-21-11-8-16(9-12-21)15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2
InChIKeyLPYJFQIYOTVKMQ-UHFFFAOYSA-N
XLogP2.87
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 15745413) is 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is LPYJFQIYOTVKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19-22(18-17(24-19)7-4-10-20-18)14-13-21-11-8-16(9-12-21)15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2.
What are the key properties of 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 15745413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).