1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone

C20H23NO3 — CID 44514525

IUPAC1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone
SMILESCC1(C)O[C@](C)(c2ccccc2)[C@@H](O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C20H23NO3/c1-19(2)21(17(22)14-15-10-6-4-7-11-15)18(23)20(3,24-19)16-12-8-5-9-13-16/h4-13,18,23H,14H2,1-3H3/t18-,20-/m1/s1
InChIKeyRASDOXVCMSSJHC-UYAOXDASSA-N
MW325.41 g/mol
LogP3.06
Rot. Bonds3

About 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone

1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone (PubChem CID 44514525) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone
PubChem CID44514525
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone
SMILESCC1(C)O[C@](C)(c2ccccc2)[C@@H](O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C20H23NO3/c1-19(2)21(17(22)14-15-10-6-4-7-11-15)18(23)20(3,24-19)16-12-8-5-9-13-16/h4-13,18,23H,14H2,1-3H3/t18-,20-/m1/s1
InChIKeyRASDOXVCMSSJHC-UYAOXDASSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone with MolForge

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Related Compounds

1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone
CID 10979179
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylethanone
CID 66243746
N-[methyl-bis[(2-phenylacetyl)amino]silyl]-2-phenylacetamide
CID 141205802
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
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1,3-diphenyl(213C)propan-2-one
CID 100945080
2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 805312
N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide
CID 132819605
(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one
CID 10428929
2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one
CID 101492826
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
benzyl 4-benzyl-5-hydroxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 142626217

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone (CID 44514525) is 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone is CC1(C)O[C@](C)(c2ccccc2)[C@@H](O)N1C(=O)Cc1ccccc1.
What is the InChIKey of 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone?
The InChIKey is RASDOXVCMSSJHC-UYAOXDASSA-N. The full InChI is InChI=1S/C20H23NO3/c1-19(2)21(17(22)14-15-10-6-4-7-11-15)18(23)20(3,24-19)16-12-8-5-9-13-16/h4-13,18,23H,14H2,1-3H3/t18-,20-/m1/s1.
What are the key properties of 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone?
1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone has a molecular weight of 325.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 44514525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).