6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one

C26H27NO3 — CID 66857539

IUPAC6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2ccccc2)cc1)N1CCC(CCO)(c2ccccc2)OC1=O
InChIInChI=1S/C26H27NO3/c1-20(21-12-14-23(15-13-21)22-8-4-2-5-9-22)27-18-16-26(17-19-28,30-25(27)29)24-10-6-3-7-11-24/h2-15,20,28H,16-19H2,1H3/t20-,26?/m0/s1
InChIKeyGTTSQAQAOBMRGR-DQUNLGLBSA-N
MW401.51 g/mol
LogP5.53
Rot. Bonds6

About 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one

6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 66857539) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one
PubChem CID66857539
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2ccccc2)cc1)N1CCC(CCO)(c2ccccc2)OC1=O
InChIInChI=1S/C26H27NO3/c1-20(21-12-14-23(15-13-21)22-8-4-2-5-9-22)27-18-16-26(17-19-28,30-25(27)29)24-10-6-3-7-11-24/h2-15,20,28H,16-19H2,1H3/t20-,26?/m0/s1
InChIKeyGTTSQAQAOBMRGR-DQUNLGLBSA-N
XLogP5.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 53473233
6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66857994
(6R)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 59635752
(6R)-6-(3-hydroxypropyl)-6-phenyl-3-[(1S)-1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 58109704
3-[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 66857258
6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methylpyrazol-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66857750
6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 91005848
3-[(6R)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid
CID 70952824
6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide
CID 91199263
(6R)-3-[(1S)-1-[4-(2-hydroxy-2-methylpropyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 58109698
3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid
CID 58109185
3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanal
CID 90711473

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one (CID 66857539) is 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one is C[C@@H](c1ccc(-c2ccccc2)cc1)N1CCC(CCO)(c2ccccc2)OC1=O.
What is the InChIKey of 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is GTTSQAQAOBMRGR-DQUNLGLBSA-N. The full InChI is InChI=1S/C26H27NO3/c1-20(21-12-14-23(15-13-21)22-8-4-2-5-9-22)27-18-16-26(17-19-28,30-25(27)29)24-10-6-3-7-11-24/h2-15,20,28H,16-19H2,1H3/t20-,26?/m0/s1.
What are the key properties of 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one?
6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 401.51 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 66857539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).