[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate

C20H19NO6 — CID 18638958

IUPAC[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)[C@H](Cc1ccccc1)OC(=O)N1CCOC1=O
InChIInChI=1S/C20H19NO6/c22-18(26-14-16-9-5-2-6-10-16)17(13-15-7-3-1-4-8-15)27-20(24)21-11-12-25-19(21)23/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeySDMRNVLEZOYWAB-KRWDZBQOSA-N
MW369.37 g/mol
LogP2.93
Rot. Bonds6

About [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate

[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 18638958) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID18638958
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)[C@H](Cc1ccccc1)OC(=O)N1CCOC1=O
InChIInChI=1S/C20H19NO6/c22-18(26-14-16-9-5-2-6-10-16)17(13-15-7-3-1-4-8-15)27-20(24)21-11-12-25-19(21)23/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeySDMRNVLEZOYWAB-KRWDZBQOSA-N
XLogP2.93
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate
CID 18638949
benzyl (2S)-2-[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]pyrrolidine-1-carboxylate
CID 15894128
benzyl N-[(1R,2R)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)-1-phenylbutyl]carbamate
CID 139117529
3-[3-phenyl-2-(4-phenylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 166438755
benzyl (2S)-2-(dibenzylcarbamoyloxy)-3-phenylpropanoate
CID 54215648
dibenzyl 2-[(2S)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)-5-phenylpent-4-ynyl]propanedioate
CID 134943425
benzyl (2S)-2-[methyl-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamoyl]oxy-3-phenylpropanoate
CID 18639020
benzyl 8-iodo-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 133060080
S-[(2R)-2-benzyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197437
3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
CID 137468469
benzyl (2S,3S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)-2-(phenylmethoxycarbonylamino)butanoate
CID 154607994
benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 176887420

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate (CID 18638958) is [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate is O=C(OCc1ccccc1)[C@H](Cc1ccccc1)OC(=O)N1CCOC1=O.
What is the InChIKey of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is SDMRNVLEZOYWAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19NO6/c22-18(26-14-16-9-5-2-6-10-16)17(13-15-7-3-1-4-8-15)27-20(24)21-11-12-25-19(21)23/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate?
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 369.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 18638958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).