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

C16H21NO5 — CID 10638428

IUPAC(4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C16H21NO5/c1-16(2)21-10-13(22-16)14(18)12-9-20-15(19)17(12)8-11-6-4-3-5-7-11/h3-7,12-14,18H,8-10H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyJKIUJFCSDSVVJW-MGPQQGTHSA-N
MW307.35 g/mol
LogP1.52
Rot. Bonds4

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

(4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one (PubChem CID 10638428) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one
PubChem CID10638428
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name(4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C16H21NO5/c1-16(2)21-10-13(22-16)14(18)12-9-20-15(19)17(12)8-11-6-4-3-5-7-11/h3-7,12-14,18H,8-10H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyJKIUJFCSDSVVJW-MGPQQGTHSA-N
XLogP1.52
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one (CID 10638428) is (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one is CC1(C)OC[C@H]([C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)O1.
What is the InChIKey of (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is JKIUJFCSDSVVJW-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H21NO5/c1-16(2)21-10-13(22-16)14(18)12-9-20-15(19)17(12)8-11-6-4-3-5-7-11/h3-7,12-14,18H,8-10H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one?
(4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10638428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).