dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate

C20H25NO8 — CID 134985640

IUPACdimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)ON([C@@H]2OC[C@H]3OC(C)(C)O[C@@H]23)[C@H]1c1ccccc1
InChIInChI=1S/C20H25NO8/c1-20(2)27-12-10-26-17(15(12)28-20)21-14(11-8-6-5-7-9-11)13(18(22)24-3)16(29-21)19(23)25-4/h5-9,12-17H,10H2,1-4H3/t12-,13+,14+,15-,16-,17-/m1/s1
InChIKeyDPXJQKUQEYTFGO-VCCANDMLSA-N
MW407.42 g/mol
LogP1.18
Rot. Bonds4

About dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate

dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate (PubChem CID 134985640) has the molecular formula C20H25NO8 and a molecular weight of 407.42 g/mol. Its IUPAC name is dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
PubChem CID134985640
Molecular FormulaC20H25NO8
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC Namedimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)ON([C@@H]2OC[C@H]3OC(C)(C)O[C@@H]23)[C@H]1c1ccccc1
InChIInChI=1S/C20H25NO8/c1-20(2)27-12-10-26-17(15(12)28-20)21-14(11-8-6-5-7-9-11)13(18(22)24-3)16(29-21)19(23)25-4/h5-9,12-17H,10H2,1-4H3/t12-,13+,14+,15-,16-,17-/m1/s1
InChIKeyDPXJQKUQEYTFGO-VCCANDMLSA-N
XLogP1.18
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate with MolForge

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Related Compounds

(3R,3aR,6aR)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 102426906
dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate
CID 91603229
(3S,3aR,6aR)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 102426907
dimethyl (4S,5R)-2-benzyl-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)-1,2-oxazolidine-4,5-dicarboxylate
CID 135016042
Dimethyl cis-2-methyl-3-p-tolylisoxazolidine-4,5-dicarboxylate
CID 139076309
dimethyl (3S,4R,5S)-2-[(3aS,4S,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
CID 11237504
(3R,3aR,6aR)-1-benzyl-3-[(2S)-oxolan-2-yl]-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one
CID 102267768
(3S,3aS,6aS)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 102426908
(3R,3aS,6aS)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 102426909
methyl (3R,5R)-2-[(3aR,4R,6S,6aR)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate
CID 126727149
Dimethyl 2-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
CID 5243011
dimethyl (3S,4S,5R)-2-[(3aS,4S,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
CID 11202951

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate (CID 134985640) is dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate is COC(=O)[C@@H]1[C@H](C(=O)OC)ON([C@@H]2OC[C@H]3OC(C)(C)O[C@@H]23)[C@H]1c1ccccc1.
What is the InChIKey of dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The InChIKey is DPXJQKUQEYTFGO-VCCANDMLSA-N. The full InChI is InChI=1S/C20H25NO8/c1-20(2)27-12-10-26-17(15(12)28-20)21-14(11-8-6-5-7-9-11)13(18(22)24-3)16(29-21)19(23)25-4/h5-9,12-17H,10H2,1-4H3/t12-,13+,14+,15-,16-,17-/m1/s1.
What are the key properties of dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate has a molecular weight of 407.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,4S,5R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 134985640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).