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

C21H23F2NO3 — CID 58109186

IUPAC(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(F)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H23F2NO3/c1-15(16-3-7-18(22)8-4-16)24-13-12-21(11-2-14-25,27-20(24)26)17-5-9-19(23)10-6-17/h3-10,15,25H,2,11-14H2,1H3/t15-,21+/m0/s1
InChIKeyYYVPBMMLVRUBCV-YCRPNKLZSA-N
MW375.42 g/mol
LogP4.54
Rot. Bonds6

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

(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one (PubChem CID 58109186) 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-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
PubChem CID58109186
Molecular FormulaC21H23F2NO3
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC Name(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(F)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H23F2NO3/c1-15(16-3-7-18(22)8-4-16)24-13-12-21(11-2-14-25,27-20(24)26)17-5-9-19(23)10-6-17/h3-10,15,25H,2,11-14H2,1H3/t15-,21+/m0/s1
InChIKeyYYVPBMMLVRUBCV-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

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Related Compounds

(S)-3-((S)-1-(2',4'-difluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 53361128
(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
CID 53473134
US8592410, Comparator 8
CID 53473135
(S)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
CID 53473136
(R)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 53473137
(6R)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]propyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 53473138
(R)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(2-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 53473230
(6R)-6-(3-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 53473231
(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 53473232
(S)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 53473233
(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 59635628
3-(2',4'-Difluorobiphenyl-3-yl)-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 25182553

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one (CID 58109186) is (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one is C[C@@H](c1ccc(F)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The InChIKey is YYVPBMMLVRUBCV-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H23F2NO3/c1-15(16-3-7-18(22)8-4-16)24-13-12-21(11-2-14-25,27-20(24)26)17-5-9-19(23)10-6-17/h3-10,15,25H,2,11-14H2,1H3/t15-,21+/m0/s1.
What are the key properties of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-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-(4-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 58109186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).