(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide

C19H34N2O7Si — CID 10938919

IUPAC(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
SMILESCN(C)C(=O)N1C[C@]2(OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C19H34N2O7Si/c1-17(2,3)29(8,9)28-14-13-12(25-18(4,5)26-13)10-24-19(14)11-21(16(23)27-19)15(22)20(6)7/h12-14H,10-11H2,1-9H3/t12-,13-,14+,19+/m1/s1
InChIKeyJLMFNZLINWRSHN-PXWIGAEESA-N
MW430.57 g/mol
LogP2.76
Rot. Bonds2

About (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide

(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide (PubChem CID 10938919) has the molecular formula C19H34N2O7Si and a molecular weight of 430.57 g/mol. Its IUPAC name is (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide.

Molecular Properties

Compound Name(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
PubChem CID10938919
Molecular FormulaC19H34N2O7Si
Molecular Weight430.57 g/mol
Exact Mass430.21
IUPAC Name(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
SMILESCN(C)C(=O)N1C[C@]2(OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C19H34N2O7Si/c1-17(2,3)29(8,9)28-14-13-12(25-18(4,5)26-13)10-24-19(14)11-21(16(23)27-19)15(22)20(6)7/h12-14H,10-11H2,1-9H3/t12-,13-,14+,19+/m1/s1
InChIKeyJLMFNZLINWRSHN-PXWIGAEESA-N
XLogP2.76
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide with MolForge

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Related Compounds

tert-butyl (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 58766035
tert-butyl (3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-2'-oxospiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-3'-carboxylate
CID 58766059
(3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2,3'-trimethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-2'-one
CID 58766067
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766081
tert-butyl (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 58766091
(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-3-(2,2-dimethylpropanoyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 10884746
tert-butyl (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 10885420
(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 10916078
(3'aR,5S,7'S,7'aR)-3-acetyl-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 11014895
tert-butyl (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 11070056
(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2',3-trimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 11079276
tert-butyl (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 11476681

Frequently Asked Questions

What is the IUPAC name of (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The IUPAC name of (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide (CID 10938919) is (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide.
What is the SMILES notation for (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The canonical SMILES for (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide is CN(C)C(=O)N1C[C@]2(OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The InChIKey is JLMFNZLINWRSHN-PXWIGAEESA-N. The full InChI is InChI=1S/C19H34N2O7Si/c1-17(2,3)29(8,9)28-14-13-12(25-18(4,5)26-13)10-24-19(14)11-21(16(23)27-19)15(22)20(6)7/h12-14H,10-11H2,1-9H3/t12-,13-,14+,19+/m1/s1.
What are the key properties of (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
(3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,5S,7'S,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide is sourced from PubChem (CID 10938919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).