(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one

C25H26FN3O3 — CID 58109242

IUPAC(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2cccnn2)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C25H26FN3O3/c1-18(19-5-7-20(8-6-19)23-4-2-15-27-28-23)29-16-14-25(13-3-17-30,32-24(29)31)21-9-11-22(26)12-10-21/h2,4-12,15,18,30H,3,13-14,16-17H2,1H3/t18-,25+/m0/s1
InChIKeyJYHIYINWEPYRKI-AVRWGWEMSA-N
MW435.50 g/mol
LogP4.85
Rot. Bonds7

About (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one

(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 58109242) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one
PubChem CID58109242
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2cccnn2)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C25H26FN3O3/c1-18(19-5-7-20(8-6-19)23-4-2-15-27-28-23)29-16-14-25(13-3-17-30,32-24(29)31)21-9-11-22(26)12-10-21/h2,4-12,15,18,30H,3,13-14,16-17H2,1H3/t18-,25+/m0/s1
InChIKeyJYHIYINWEPYRKI-AVRWGWEMSA-N
XLogP4.85
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-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

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one (CID 58109242) is (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one is C[C@@H](c1ccc(-c2cccnn2)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is JYHIYINWEPYRKI-AVRWGWEMSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-18(19-5-7-20(8-6-19)23-4-2-15-27-28-23)29-16-14-25(13-3-17-30,32-24(29)31)21-9-11-22(26)12-10-21/h2,4-12,15,18,30H,3,13-14,16-17H2,1H3/t18-,25+/m0/s1.
What are the key properties of (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one?
(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 435.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyridazin-3-ylphenyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 58109242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).