(4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C25H31NO5 — CID 101205515

IUPAC(4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](O)[C@@](C)(OCc1ccccc1)C(=O)N1C(=O)OC(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C25H31NO5/c1-17(2)21(27)25(5,30-16-18-12-8-6-9-13-18)22(28)26-20(19-14-10-7-11-15-19)24(3,4)31-23(26)29/h6-15,17,20-21,27H,16H2,1-5H3/t20-,21-,25-/m1/s1
InChIKeyWVCCDKYFJWTJPF-DNRQZRRGSA-N
MW425.53 g/mol
LogP4.48
Rot. Bonds7

About (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101205515) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101205515
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Name(4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](O)[C@@](C)(OCc1ccccc1)C(=O)N1C(=O)OC(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C25H31NO5/c1-17(2)21(27)25(5,30-16-18-12-8-6-9-13-18)22(28)26-20(19-14-10-7-11-15-19)24(3,4)31-23(26)29/h6-15,17,20-21,27H,16H2,1-5H3/t20-,21-,25-/m1/s1
InChIKeyWVCCDKYFJWTJPF-DNRQZRRGSA-N
XLogP4.48
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 10969286
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-Diethyl-5'-[(1s)-1-Hydroxyethyl]-4-Methyloctahydro-2,2'-Bifuran-5-Yl}butanoyl]-4-Methyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 56684134
(3R,4R,5R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)-5-(trifluoromethyl)pyrrolidin-2-one
CID 139095353
(4R)-4-benzyl-3-[(2S,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 176430323
(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893992
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2-phenylmethoxypropanoic acid
CID 10317123
(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 10851542
(4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 15349603
(4S,5R)-3-((2R,3R)-2,3-Dimethyl-hexanoyl)-4,5-diphenyl-oxazolidin-2-one
CID 25232465
(2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one
CID 59910084

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 101205515) is (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC(C)[C@@H](O)[C@@](C)(OCc1ccccc1)C(=O)N1C(=O)OC(C)(C)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WVCCDKYFJWTJPF-DNRQZRRGSA-N. The full InChI is InChI=1S/C25H31NO5/c1-17(2)21(27)25(5,30-16-18-12-8-6-9-13-18)22(28)26-20(19-14-10-7-11-15-19)24(3,4)31-23(26)29/h6-15,17,20-21,27H,16H2,1-5H3/t20-,21-,25-/m1/s1.
What are the key properties of (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 425.53 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101205515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).