3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C11H13N3O2 — CID 102819817

IUPAC3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1C[C@@H]1CCCN1
InChIInChI=1S/C11H13N3O2/c15-11-14(7-8-3-1-5-12-8)10-9(16-11)4-2-6-13-10/h2,4,6,8,12H,1,3,5,7H2/t8-/m0/s1
InChIKeyOIUKUMPRIVLKCB-QMMMGPOBSA-N
MW219.24 g/mol
LogP0.74
Rot. Bonds2

About 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 102819817) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID102819817
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1C[C@@H]1CCCN1
InChIInChI=1S/C11H13N3O2/c15-11-14(7-8-3-1-5-12-8)10-9(16-11)4-2-6-13-10/h2,4,6,8,12H,1,3,5,7H2/t8-/m0/s1
InChIKeyOIUKUMPRIVLKCB-QMMMGPOBSA-N
XLogP0.74
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(2S)-pyrrolidin-2-yl]methyl]-[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

2-(5-chlorofuran-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164355
2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166413
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161910
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15745413
3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115872228
3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride
CID 69202980
2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164361
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
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 156848421

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 102819817) is 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1C[C@@H]1CCCN1.
What is the InChIKey of 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is OIUKUMPRIVLKCB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11-14(7-8-3-1-5-12-8)10-9(16-11)4-2-6-13-10/h2,4,6,8,12H,1,3,5,7H2/t8-/m0/s1.
What are the key properties of 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 102819817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).