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

C17H18N2O2 — CID 10517014

IUPAC(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide
SMILESC[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(N)=O
InChIInChI=1S/C17H18N2O2/c1-12-15(17(18)20)16(13-8-4-2-5-9-13)19(21-12)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H2,18,20)/t12-,15-,16-/m0/s1
InChIKeyOBVOOMDYWDFPBF-RCBQFDQVSA-N
MW282.34 g/mol
LogP2.67
Rot. Bonds3

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

(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide (PubChem CID 10517014) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide
PubChem CID10517014
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide
SMILESC[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(N)=O
InChIInChI=1S/C17H18N2O2/c1-12-15(17(18)20)16(13-8-4-2-5-9-13)19(21-12)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H2,18,20)/t12-,15-,16-/m0/s1
InChIKeyOBVOOMDYWDFPBF-RCBQFDQVSA-N
XLogP2.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 23270968
1-[(3S,4R,5S)-5-ethyl-2,3-diphenyl-1,2-oxazolidin-4-yl]-2-hydroxy-2-methylpropan-1-one
CID 101374519
[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 45277358
methyl 2-[(3S,4R,5R)-5-(3-methylphenyl)-2,3-diphenyl-1,2-oxazolidin-4-yl]-2-oxoacetate
CID 132504109
2,3,4,5-tetraphenyl-1,2-oxazolidine
CID 23270967
methyl 2-[(3S,4R,5R)-3,5-bis(4-bromophenyl)-2-phenyl-1,2-oxazolidin-4-yl]-2-oxoacetate
CID 132504112
(3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
CID 7353086
(3S,4S,5R)-4-[(4-chlorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
CID 51505881
(5S,6S,7S)-5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136934104
(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate
CID 11898975
(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
CID 26370580
2,3,5-triphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 564083

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide?
The IUPAC name of (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide (CID 10517014) is (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide is C[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(N)=O.
What is the InChIKey of (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide?
The InChIKey is OBVOOMDYWDFPBF-RCBQFDQVSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-15(17(18)20)16(13-8-4-2-5-9-13)19(21-12)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H2,18,20)/t12-,15-,16-/m0/s1.
What are the key properties of (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide?
(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 10517014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).