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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-morpholin-4-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 3072034
3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 67898464
3-[2-[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75472705
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115872228
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 77081794
3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 91943763
3-[2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 119043241
3-methyl-6-[4-(4-phenylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
CID 21474237
3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 102819817
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407

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).