(3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid

C17H17NO3 — CID 23919667

IUPAC(3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid
SMILESC[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)O
InChIInChI=1S/C17H17NO3/c1-12-15(17(19)20)16(13-8-4-2-5-9-13)18(21-12)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H,19,20)/t12-,15-,16+/m0/s1
InChIKeyZVISIOHMFLGRAA-VBNZEHGJSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds3

About (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid

(3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid (PubChem CID 23919667) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid
PubChem CID23919667
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid
SMILESC[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)O
InChIInChI=1S/C17H17NO3/c1-12-15(17(19)20)16(13-8-4-2-5-9-13)18(21-12)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H,19,20)/t12-,15-,16+/m0/s1
InChIKeyZVISIOHMFLGRAA-VBNZEHGJSA-N
XLogP3.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218551
2-[(2S,4S)-4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218607
2-[(2R,3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218640
Diethyl [anilino(phenyl)methyl]malonate
CID 2899272
Methyl 5-hydroxy-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate
CID 3136581
Dimethyl [phenyl(phenylamino)methyl]propanedioate
CID 3385833
2-[(2S,5S)-5-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 137640032
Methyl 2,3-diphenyl-1,2-oxazolidine-5-carboxylate
CID 330343
2-[(2R,3R)-1-[4-[(2-methylphenyl)methyl]phenyl]-3-phenylpyrrolidin-2-yl]acetic acid
CID 137646043
2-[(2S,4R)-1-[4-[(2-methylphenyl)methyl]phenyl]-4-phenylpyrrolidin-2-yl]acetic acid
CID 137655097
4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester
CID 613667
(3R,4R)-4-Methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde
CID 71363111

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid?
The IUPAC name of (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid (CID 23919667) is (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid?
The canonical SMILES for (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid is C[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)O.
What is the InChIKey of (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid?
The InChIKey is ZVISIOHMFLGRAA-VBNZEHGJSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-15(17(19)20)16(13-8-4-2-5-9-13)18(21-12)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H,19,20)/t12-,15-,16+/m0/s1.
What are the key properties of (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid?
(3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 23919667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).