ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate

C18H22N2O5S — CID 11516409

IUPACethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@@H]2C[C@@H]([C@H](O)CO)ON2Cc2ccccc2)n1
InChIInChI=1S/C18H22N2O5S/c1-2-24-18(23)13-11-26-17(19-13)14-8-16(15(22)10-21)25-20(14)9-12-6-4-3-5-7-12/h3-7,11,14-16,21-22H,2,8-10H2,1H3/t14-,15+,16-/m0/s1
InChIKeyQRSHSJHSZAMZML-XHSDSOJGSA-N
MW378.45 g/mol
LogP1.92
Rot. Bonds7

About ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate (PubChem CID 11516409) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate
PubChem CID11516409
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Nameethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@@H]2C[C@@H]([C@H](O)CO)ON2Cc2ccccc2)n1
InChIInChI=1S/C18H22N2O5S/c1-2-24-18(23)13-11-26-17(19-13)14-8-16(15(22)10-21)25-20(14)9-12-6-4-3-5-7-12/h3-7,11,14-16,21-22H,2,8-10H2,1H3/t14-,15+,16-/m0/s1
InChIKeyQRSHSJHSZAMZML-XHSDSOJGSA-N
XLogP1.92
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[(3R,5S)-2-benzyl-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate
CID 11654635
2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide
CID 134997830
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CID 107925303
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ethyl 2-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
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ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate (CID 11516409) is ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@@H]2C[C@@H]([C@H](O)CO)ON2Cc2ccccc2)n1.
What is the InChIKey of ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is QRSHSJHSZAMZML-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-2-24-18(23)13-11-26-17(19-13)14-8-16(15(22)10-21)25-20(14)9-12-6-4-3-5-7-12/h3-7,11,14-16,21-22H,2,8-10H2,1H3/t14-,15+,16-/m0/s1.
What are the key properties of ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 11516409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).