(4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one

C24H33NO7 — CID 71725813

IUPAC(4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@@H](OCOC)C(C)(C)C(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C24H33NO7/c1-8-17-19(32-24(5,6)31-17)20(29-14-28-7)23(3,4)21(26)25-18(15(2)30-22(25)27)16-12-10-9-11-13-16/h8-13,15,17-20H,1,14H2,2-7H3/t15-,17-,18-,19-,20+/m0/s1
InChIKeyIMMVLJPEMUSXHG-ONSCTEFMSA-N
MW447.53 g/mol
LogP3.82
Rot. Bonds8

About (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 71725813) has the molecular formula C24H33NO7 and a molecular weight of 447.53 g/mol. Its IUPAC name is (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID71725813
Molecular FormulaC24H33NO7
Molecular Weight447.53 g/mol
Exact Mass447.23
IUPAC Name(4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@@H](OCOC)C(C)(C)C(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C24H33NO7/c1-8-17-19(32-24(5,6)31-17)20(29-14-28-7)23(3,4)21(26)25-18(15(2)30-22(25)27)16-12-10-9-11-13-16/h8-13,15,17-20H,1,14H2,2-7H3/t15-,17-,18-,19-,20+/m0/s1
InChIKeyIMMVLJPEMUSXHG-ONSCTEFMSA-N
XLogP3.82
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 118423801
(5S)-1-benzyl-5-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
CID 53494485
[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopropyl] acetate
CID 176430319
(4S,5R)-3-[(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11068124
(4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
CID 71726099
4-Benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one
CID 18473012
4(R)-Benzyl-3-[4-(2-methyl-[1,3]dioxolan-2-yl)-butyryl]-oxazolidin-2-one
CID 22086394
4(S)-Benzyl-3-[4-(2-methyl-[1,3]dioxolan-2-yl)-butyryl]-oxazolidin-2-one
CID 22086397
(4R)-4-benzyl-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 59226447
(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 59226546
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
(R)-4-benzyl-3-((2R,3R)-3-(tert-butyldimethylsilyloxy)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylpropanoyl)oxazolidin-2-one
CID 67134258

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one (CID 71725813) is (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one is C=C[C@@H]1OC(C)(C)O[C@@H]1[C@@H](OCOC)C(C)(C)C(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IMMVLJPEMUSXHG-ONSCTEFMSA-N. The full InChI is InChI=1S/C24H33NO7/c1-8-17-19(32-24(5,6)31-17)20(29-14-28-7)23(3,4)21(26)25-18(15(2)30-22(25)27)16-12-10-9-11-13-16/h8-13,15,17-20H,1,14H2,2-7H3/t15-,17-,18-,19-,20+/m0/s1.
What are the key properties of (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 447.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(3S)-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71725813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).