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

C21H23F2NO3 — CID 58109148

IUPAC(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
SMILESC[C@@H](c1cccc(F)c1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H23F2NO3/c1-15(16-4-2-5-19(23)14-16)24-12-11-21(10-3-13-25,27-20(24)26)17-6-8-18(22)9-7-17/h2,4-9,14-15,25H,3,10-13H2,1H3/t15-,21+/m0/s1
InChIKeyKYOGYEPFKVIBHI-YCRPNKLZSA-N
MW375.42 g/mol
LogP4.54
Rot. Bonds6

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

(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one (PubChem CID 58109148) has the molecular formula C21H23F2NO3 and a molecular weight of 375.42 g/mol. Its IUPAC name is (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
PubChem CID58109148
Molecular FormulaC21H23F2NO3
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC Name(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
SMILESC[C@@H](c1cccc(F)c1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H23F2NO3/c1-15(16-4-2-5-19(23)14-16)24-12-11-21(10-3-13-25,27-20(24)26)17-6-8-18(22)9-7-17/h2,4-9,14-15,25H,3,10-13H2,1H3/t15-,21+/m0/s1
InChIKeyKYOGYEPFKVIBHI-YCRPNKLZSA-N
XLogP4.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-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)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one (CID 58109148) is (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one is C[C@@H](c1cccc(F)c1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The InChIKey is KYOGYEPFKVIBHI-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H23F2NO3/c1-15(16-4-2-5-19(23)14-16)24-12-11-21(10-3-13-25,27-20(24)26)17-6-8-18(22)9-7-17/h2,4-9,14-15,25H,3,10-13H2,1H3/t15-,21+/m0/s1.
What are the key properties of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one has a molecular weight of 375.42 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(3-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 58109148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).