methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate

C24H25NO5 — CID 102157062

IUPACmethyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCC[C@@H]1COC(=O)N1[C@@H]1OC(C(=O)OC)=C[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H25NO5/c1-3-18-15-29-24(27)25(18)22-21(17-12-8-5-9-13-17)19(16-10-6-4-7-11-16)14-20(30-22)23(26)28-2/h4-14,18-19,21-22H,3,15H2,1-2H3/t18-,19-,21-,22-/m1/s1
InChIKeyIUQMXLGIOVFEOB-UGESXGAOSA-N
MW407.47 g/mol
LogP4.20
Rot. Bonds5

About methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 102157062) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID102157062
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Namemethyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCC[C@@H]1COC(=O)N1[C@@H]1OC(C(=O)OC)=C[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H25NO5/c1-3-18-15-29-24(27)25(18)22-21(17-12-8-5-9-13-17)19(16-10-6-4-7-11-16)14-20(30-22)23(26)28-2/h4-14,18-19,21-22H,3,15H2,1-2H3/t18-,19-,21-,22-/m1/s1
InChIKeyIUQMXLGIOVFEOB-UGESXGAOSA-N
XLogP4.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate with MolForge

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Related Compounds

methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
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methyl (4aR,5S,8aS)-5-phenyl-4,4a,5,8a-tetrahydropyrano[2,3-d][1,3]dioxine-7-carboxylate
CID 10731155
methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11233569
methyl 3,5,9-trioxo-4-phenyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-11-carboxylate
CID 12595119
methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11442337
(4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one
CID 11474742
methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 71714778
methyl (2R,4R)-4-(1,3-dioxoisoindol-2-yl)-2-ethoxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 641843
3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
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methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate
CID 10514560
methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102435709

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 102157062) is methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate is CC[C@@H]1COC(=O)N1[C@@H]1OC(C(=O)OC)=C[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is IUQMXLGIOVFEOB-UGESXGAOSA-N. The full InChI is InChI=1S/C24H25NO5/c1-3-18-15-29-24(27)25(18)22-21(17-12-8-5-9-13-17)19(16-10-6-4-7-11-16)14-20(30-22)23(26)28-2/h4-14,18-19,21-22H,3,15H2,1-2H3/t18-,19-,21-,22-/m1/s1.
What are the key properties of methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 102157062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).