1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol

C22H20FN3O3 — CID 69419264

IUPAC1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
SMILESOC(CNCc1cccc(F)c1)COc1cccc(-c2noc3ncccc23)c1
InChIInChI=1S/C22H20FN3O3/c23-17-6-1-4-15(10-17)12-24-13-18(27)14-28-19-7-2-5-16(11-19)21-20-8-3-9-25-22(20)29-26-21/h1-11,18,24,27H,12-14H2
InChIKeySYYMYWHBCDCEOW-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.56
Rot. Bonds8

About 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol

1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol (PubChem CID 69419264) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
PubChem CID69419264
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol
SMILESOC(CNCc1cccc(F)c1)COc1cccc(-c2noc3ncccc23)c1
InChIInChI=1S/C22H20FN3O3/c23-17-6-1-4-15(10-17)12-24-13-18(27)14-28-19-7-2-5-16(11-19)21-20-8-3-9-25-22(20)29-26-21/h1-11,18,24,27H,12-14H2
InChIKeySYYMYWHBCDCEOW-UHFFFAOYSA-N
XLogP3.56
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol (CID 69419264) is 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol is OC(CNCc1cccc(F)c1)COc1cccc(-c2noc3ncccc23)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol?
The InChIKey is SYYMYWHBCDCEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-17-6-1-4-15(10-17)12-24-13-18(27)14-28-19-7-2-5-16(11-19)21-20-8-3-9-25-22(20)29-26-21/h1-11,18,24,27H,12-14H2.
What are the key properties of 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol?
1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol has a molecular weight of 393.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylamino]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 69419264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).