(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol

C22H21N3O3S — CID 58928272

IUPAC(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
SMILESO[C@@H](COc1cccc(-c2noc3ncccc23)c1)CN1CCc2sccc2C1
InChIInChI=1S/C22H21N3O3S/c26-17(13-25-9-6-20-16(12-25)7-10-29-20)14-27-18-4-1-3-15(11-18)21-19-5-2-8-23-22(19)28-24-21/h1-5,7-8,10-11,17,26H,6,9,12-14H2/t17-/m1/s1
InChIKeyFEUCDRHQPOVZCV-QGZVFWFLSA-N
MW407.50 g/mol
LogP3.75
Rot. Bonds6

About (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol

(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol (PubChem CID 58928272) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
PubChem CID58928272
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
SMILESO[C@@H](COc1cccc(-c2noc3ncccc23)c1)CN1CCc2sccc2C1
InChIInChI=1S/C22H21N3O3S/c26-17(13-25-9-6-20-16(12-25)7-10-29-20)14-27-18-4-1-3-15(11-18)21-19-5-2-8-23-22(19)28-24-21/h1-5,7-8,10-11,17,26H,6,9,12-14H2/t17-/m1/s1
InChIKeyFEUCDRHQPOVZCV-QGZVFWFLSA-N
XLogP3.75
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

N-[(5,6-dimethoxy-3-methyl-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71519589
[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97410196
(2R)-1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
CID 9865356
(2R)-1-[(4-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
CID 9952478
(R)-1-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-3-(3-isoxazolo[5,4-b]pyridin-3-yl-phenoxy)-propan-2-ol
CID 58928265
1-[(4-Fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
CID 67012887
1-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
CID 69419239
1-[(3-Fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
CID 69419264
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-2-ol
CID 21915330
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612272
N-[2-(4-fluorophenoxy)ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 37592075
[6-(2,5-Dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 60323866

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol (CID 58928272) is (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol is O[C@@H](COc1cccc(-c2noc3ncccc23)c1)CN1CCc2sccc2C1.
What is the InChIKey of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol?
The InChIKey is FEUCDRHQPOVZCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-17(13-25-9-6-20-16(12-25)7-10-29-20)14-27-18-4-1-3-15(11-18)21-19-5-2-8-23-22(19)28-24-21/h1-5,7-8,10-11,17,26H,6,9,12-14H2/t17-/m1/s1.
What are the key properties of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol?
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol has a molecular weight of 407.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 58928272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).