(2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one

C25H23NO3 — CID 11440547

IUPAC(2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one
SMILESC[C@@H](O)[C@@H]1OC(c2ccccc2)=CN(C(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H23NO3/c1-18(27)24-25(28)26(17-22(29-24)19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18,23-24,27H,1H3/t18-,24+/m1/s1
InChIKeyVOVPMBZJYBPJAI-KOSHJBKYSA-N
MW385.46 g/mol
LogP4.38
Rot. Bonds5

About (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one

(2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one (PubChem CID 11440547) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one.

Molecular Properties

Compound Name(2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one
PubChem CID11440547
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one
SMILESC[C@@H](O)[C@@H]1OC(c2ccccc2)=CN(C(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H23NO3/c1-18(27)24-25(28)26(17-22(29-24)19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18,23-24,27H,1H3/t18-,24+/m1/s1
InChIKeyVOVPMBZJYBPJAI-KOSHJBKYSA-N
XLogP4.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58997976
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CID 58997977
(2r)-4-Benzyl-2-[(s)-hydroxy(phenyl)methyl]morpholin-3-one
CID 58997978
(2R)-2-[hydroxy(diphenyl)methyl]-4-methyl-2-phenylmorpholin-3-one
CID 1211678
(4S)-5,5-dimethyl-4-phenyl-3-[(2S,3S)-5,5,5-trifluoro-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanoyl]-1,3-oxazolidin-2-one
CID 67321701
2-[(4-Fluorophenyl)methyl]-4-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)morpholin-3-one
CID 123362185
(4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 15286682
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-5-phenyl-2-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
CID 44478257
(4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 101205515
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-phenylmethoxypent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 101754948
(4S,5R)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 101839884
(4S,5S)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 101839886

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one?
The IUPAC name of (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one (CID 11440547) is (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one.
What is the SMILES notation for (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one?
The canonical SMILES for (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one is C[C@@H](O)[C@@H]1OC(c2ccccc2)=CN(C(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one?
The InChIKey is VOVPMBZJYBPJAI-KOSHJBKYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-18(27)24-25(28)26(17-22(29-24)19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18,23-24,27H,1H3/t18-,24+/m1/s1.
What are the key properties of (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one?
(2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one has a molecular weight of 385.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one is sourced from PubChem (CID 11440547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).