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

C25H35NO7 — CID 71726100

IUPAC(4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC=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
InChIInChI=1S/C25H35NO7/c1-15(2)19-20(33-25(6,7)32-19)21(30-14-29-8)24(4,5)22(27)26-18(16(3)31-23(26)28)17-12-10-9-11-13-17/h9-13,16,18-21H,1,14H2,2-8H3/t16-,18-,19-,20-,21+/m0/s1
InChIKeySWOCTRXQSVRWDT-RKFFNLMFSA-N
MW461.56 g/mol
LogP4.21
Rot. Bonds8

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

(4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 71726100) has the molecular formula C25H35NO7 and a molecular weight of 461.56 g/mol. Its IUPAC name is (4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-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-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID71726100
Molecular FormulaC25H35NO7
Molecular Weight461.56 g/mol
Exact Mass461.24
IUPAC Name(4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC=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
InChIInChI=1S/C25H35NO7/c1-15(2)19-20(33-25(6,7)32-19)21(30-14-29-8)24(4,5)22(27)26-18(16(3)31-23(26)28)17-12-10-9-11-13-17/h9-13,16,18-21H,1,14H2,2-8H3/t16-,18-,19-,20-,21+/m0/s1
InChIKeySWOCTRXQSVRWDT-RKFFNLMFSA-N
XLogP4.21
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.21
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'}

Analyze (4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(S)-3-{4-[2-(4-fluorophenyl)-[1,3]-dioxolan-2-yl]butyryl}-4-phenyloxazolidin-2-one
CID 24983530
(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
(4R,5S)-3-[(3S)-3-[(4R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
CID 134839705
[(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
3-[4-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 24758445
(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
(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
(4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 118423803
4-Phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
CID 123631805
(4S)-4-benzyl-3-[(E,2R)-6-methoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-4-enoyl]-1,3-oxazolidin-2-one
CID 129107078
(4R)-4-benzyl-3-[(2R,3S,4S)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 10862105

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-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-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one (CID 71726100) is (4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-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-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-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-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one is C=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-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SWOCTRXQSVRWDT-RKFFNLMFSA-N. The full InChI is InChI=1S/C25H35NO7/c1-15(2)19-20(33-25(6,7)32-19)21(30-14-29-8)24(4,5)22(27)26-18(16(3)31-23(26)28)17-12-10-9-11-13-17/h9-13,16,18-21H,1,14H2,2-8H3/t16-,18-,19-,20-,21+/m0/s1.
What are the key properties of (4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(3S)-3-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 461.56 g/mol, XLogP of 4.21, 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-[(4R,5S)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71726100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).