4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

C19H25NO6 — CID 67130830

IUPAC4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)[C@@H](O)C1COC(C)(C)O1
InChIInChI=1S/C19H25NO6/c1-12(16(21)15-11-25-19(2,3)26-15)17(22)20-14(10-24-18(20)23)9-13-7-5-4-6-8-13/h4-8,12,14-16,21H,9-11H2,1-3H3/t12-,14?,15?,16-/m1/s1
InChIKeyMFDPRVYSAMETKS-TWRYWWQQSA-N
MW363.41 g/mol
LogP1.73
Rot. Bonds5

About 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 67130830) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID67130830
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)[C@@H](O)C1COC(C)(C)O1
InChIInChI=1S/C19H25NO6/c1-12(16(21)15-11-25-19(2,3)26-15)17(22)20-14(10-24-18(20)23)9-13-7-5-4-6-8-13/h4-8,12,14-16,21H,9-11H2,1-3H3/t12-,14?,15?,16-/m1/s1
InChIKeyMFDPRVYSAMETKS-TWRYWWQQSA-N
XLogP1.73
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 67130830) is 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)[C@@H](O)C1COC(C)(C)O1.
What is the InChIKey of 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MFDPRVYSAMETKS-TWRYWWQQSA-N. The full InChI is InChI=1S/C19H25NO6/c1-12(16(21)15-11-25-19(2,3)26-15)17(22)20-14(10-24-18(20)23)9-13-7-5-4-6-8-13/h4-8,12,14-16,21H,9-11H2,1-3H3/t12-,14?,15?,16-/m1/s1.
What are the key properties of 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 363.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67130830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).