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

C22H26FNO3 — CID 58109238

IUPAC(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESCc1ccc([C@H](C)N2CC[C@](CCCO)(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C22H26FNO3/c1-16-4-6-18(7-5-16)17(2)24-14-13-22(12-3-15-25,27-21(24)26)19-8-10-20(23)11-9-19/h4-11,17,25H,3,12-15H2,1-2H3/t17-,22+/m0/s1
InChIKeySZFRXLHACNZCFY-HTAPYJJXSA-N
MW371.45 g/mol
LogP4.71
Rot. Bonds6

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

(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 58109238) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one
PubChem CID58109238
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESCc1ccc([C@H](C)N2CC[C@](CCCO)(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C22H26FNO3/c1-16-4-6-18(7-5-16)17(2)24-14-13-22(12-3-15-25,27-21(24)26)19-8-10-20(23)11-9-19/h4-11,17,25H,3,12-15H2,1-2H3/t17-,22+/m0/s1
InChIKeySZFRXLHACNZCFY-HTAPYJJXSA-N
XLogP4.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one (CID 58109238) is (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one is Cc1ccc([C@H](C)N2CC[C@](CCCO)(c3ccc(F)cc3)OC2=O)cc1.
What is the InChIKey of (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is SZFRXLHACNZCFY-HTAPYJJXSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-16-4-6-18(7-5-16)17(2)24-14-13-22(12-3-15-25,27-21(24)26)19-8-10-20(23)11-9-19/h4-11,17,25H,3,12-15H2,1-2H3/t17-,22+/m0/s1.
What are the key properties of (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one?
(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 371.45 g/mol, XLogP of 4.71, 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)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 58109238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).