methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate

C19H21NO4 — CID 135026125

IUPACmethyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@@H]1ON(C)[C@@H]([C@@H](O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO4/c1-20-16(17(21)14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)18(24-20)19(22)23-2/h3-12,15-18,21H,1-2H3/t15-,16-,17+,18-/m1/s1
InChIKeyMWIVDOKQJCOJAN-ZJPYXAASSA-N
MW327.38 g/mol
LogP2.29
Rot. Bonds4

About methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate

methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate (PubChem CID 135026125) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate
PubChem CID135026125
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@@H]1ON(C)[C@@H]([C@@H](O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO4/c1-20-16(17(21)14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)18(24-20)19(22)23-2/h3-12,15-18,21H,1-2H3/t15-,16-,17+,18-/m1/s1
InChIKeyMWIVDOKQJCOJAN-ZJPYXAASSA-N
XLogP2.29
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate 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

methyl (3S,5R)-2-benzyl-3-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]-5-[(R)-hydroxy(phenyl)methyl]-1,2-oxazolidine-5-carboxylate
CID 21575318
2-Benzyl-3-(5-hydroxy-2-methyl[1,3]dioxan-4-yl)-5-(hydroxyphenylmethyl)isoxazolidine-5-carboxylic acid methyl ester
CID 73802164
methyl (3R,4R,5R)-3-[(S)-acetyloxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate
CID 135026123
methyl (3S,5S)-2-benzyl-3-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]-5-[(S)-hydroxy(phenyl)methyl]-1,2-oxazolidine-5-carboxylate
CID 21575320
[(2R,3R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]methyl acetate
CID 58679502
2-[(2R,3R,4R)-4-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidin-1-yl]acetic acid
CID 58679503
[(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate
CID 91507692
[(3S)-5-[hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate
CID 164063804
(2R,3R,4S)-4-hydroxy-2-[(R)-hydroxy(phenyl)methyl]-5-oxo-3-phenylpyrrolidine-1-carboxylic acid
CID 9973700
ethyl (2R)-2-[(3aR,6S,6aS)-1-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazol-6-yl]-2-prop-2-enoxyacetate
CID 10719064
methyl (3S,5S)-2-benzyl-3-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]-5-[(R)-hydroxy(phenyl)methyl]-1,2-oxazolidine-5-carboxylate
CID 21575317
methyl (3S,5R)-2-benzyl-3-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)-5-[(R)-hydroxy(phenyl)methyl]-1,2-oxazolidine-5-carboxylate
CID 21575319

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate (CID 135026125) is methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate is COC(=O)[C@@H]1ON(C)[C@@H]([C@@H](O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate?
The InChIKey is MWIVDOKQJCOJAN-ZJPYXAASSA-N. The full InChI is InChI=1S/C19H21NO4/c1-20-16(17(21)14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)18(24-20)19(22)23-2/h3-12,15-18,21H,1-2H3/t15-,16-,17+,18-/m1/s1.
What are the key properties of methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate?
methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R,5R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-4-phenyl-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 135026125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).