methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate

C21H27NO6 — CID 11269277

IUPACmethyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](OC(C)(C)C)C[C@@H](N2C(=O)OC[C@@H]2Cc2ccccc2)O1
InChIInChI=1S/C21H27NO6/c1-21(2,3)28-16-11-17(19(23)25-4)27-18(12-16)22-15(13-26-20(22)24)10-14-8-6-5-7-9-14/h5-9,11,15-16,18H,10,12-13H2,1-4H3/t15-,16+,18-/m0/s1
InChIKeyBYOYCDYWNIXOCN-JZXOWHBKSA-N
MW389.45 g/mol
LogP3.04
Rot. Bonds5

About methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 11269277) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID11269277
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Namemethyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](OC(C)(C)C)C[C@@H](N2C(=O)OC[C@@H]2Cc2ccccc2)O1
InChIInChI=1S/C21H27NO6/c1-21(2,3)28-16-11-17(19(23)25-4)27-18(12-16)22-15(13-26-20(22)24)10-14-8-6-5-7-9-14/h5-9,11,15-16,18H,10,12-13H2,1-4H3/t15-,16+,18-/m0/s1
InChIKeyBYOYCDYWNIXOCN-JZXOWHBKSA-N
XLogP3.04
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate (CID 11269277) is methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@@H](OC(C)(C)C)C[C@@H](N2C(=O)OC[C@@H]2Cc2ccccc2)O1.
What is the InChIKey of methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is BYOYCDYWNIXOCN-JZXOWHBKSA-N. The full InChI is InChI=1S/C21H27NO6/c1-21(2,3)28-16-11-17(19(23)25-4)27-18(12-16)22-15(13-26-20(22)24)10-14-8-6-5-7-9-14/h5-9,11,15-16,18H,10,12-13H2,1-4H3/t15-,16+,18-/m0/s1.
What are the key properties of methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 11269277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).