3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide

C22H25FN2O4 — CID 58109574

IUPAC3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
SMILESCOc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C22H25FN2O4/c1-15(16-3-9-19(28-2)10-4-16)25-14-13-22(29-21(25)27,12-11-20(24)26)17-5-7-18(23)8-6-17/h3-10,15H,11-14H2,1-2H3,(H2,24,26)/t15-,22+/m0/s1
InChIKeyHKZQWVNTJGGIBS-OYHNWAKOSA-N
MW400.45 g/mol
LogP3.90
Rot. Bonds7

About 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide

3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide (PubChem CID 58109574) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide.

Molecular Properties

Compound Name3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
PubChem CID58109574
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
SMILESCOc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C22H25FN2O4/c1-15(16-3-9-19(28-2)10-4-16)25-14-13-22(29-21(25)27,12-11-20(24)26)17-5-7-18(23)8-6-17/h3-10,15H,11-14H2,1-2H3,(H2,24,26)/t15-,22+/m0/s1
InChIKeyHKZQWVNTJGGIBS-OYHNWAKOSA-N
XLogP3.90
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide 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 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The IUPAC name of 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide (CID 58109574) is 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide.
What is the SMILES notation for 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The canonical SMILES for 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide is COc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1.
What is the InChIKey of 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The InChIKey is HKZQWVNTJGGIBS-OYHNWAKOSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-15(16-3-9-19(28-2)10-4-16)25-14-13-22(29-21(25)27,12-11-20(24)26)17-5-7-18(23)8-6-17/h3-10,15H,11-14H2,1-2H3,(H2,24,26)/t15-,22+/m0/s1.
What are the key properties of 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide has a molecular weight of 400.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide is sourced from PubChem (CID 58109574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).