(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one

C14H23NO6 — CID 143339455

IUPAC(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)O[C@H](C2COC(C)(C)O2)[C@H]1C1COC(C)(C)O1
InChIInChI=1S/C14H23NO6/c1-13(2)17-6-8(20-13)10-11(19-12(16)15(10)5)9-7-18-14(3,4)21-9/h8-11H,6-7H2,1-5H3/t8?,9?,10-,11-/m1/s1
InChIKeyFATSAHCOCOQLSB-JPPWEJMLSA-N
MW301.34 g/mol
LogP1.11
Rot. Bonds2

About (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one

(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 143339455) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID143339455
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)O[C@H](C2COC(C)(C)O2)[C@H]1C1COC(C)(C)O1
InChIInChI=1S/C14H23NO6/c1-13(2)17-6-8(20-13)10-11(19-12(16)15(10)5)9-7-18-14(3,4)21-9/h8-11H,6-7H2,1-5H3/t8?,9?,10-,11-/m1/s1
InChIKeyFATSAHCOCOQLSB-JPPWEJMLSA-N
XLogP1.11
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one (CID 143339455) is (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)O[C@H](C2COC(C)(C)O2)[C@H]1C1COC(C)(C)O1.
What is the InChIKey of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is FATSAHCOCOQLSB-JPPWEJMLSA-N. The full InChI is InChI=1S/C14H23NO6/c1-13(2)17-6-8(20-13)10-11(19-12(16)15(10)5)9-7-18-14(3,4)21-9/h8-11H,6-7H2,1-5H3/t8?,9?,10-,11-/m1/s1.
What are the key properties of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one?
(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 301.34 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143339455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).