(4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one

C20H25NO5 — CID 122669071

IUPAC(4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CC2(CC[C@H]1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)OCCO2
InChIInChI=1S/C20H25NO5/c1-14-12-20(25-9-10-26-20)8-7-17(14)18(22)21-16(13-24-19(21)23)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t14-,16-,17-/m1/s1
InChIKeyWXHOPFDFMUTTCD-DJIMGWMZSA-N
MW359.42 g/mol
LogP2.76
Rot. Bonds3

About (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 122669071) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one
PubChem CID122669071
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CC2(CC[C@H]1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)OCCO2
InChIInChI=1S/C20H25NO5/c1-14-12-20(25-9-10-26-20)8-7-17(14)18(22)21-16(13-24-19(21)23)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t14-,16-,17-/m1/s1
InChIKeyWXHOPFDFMUTTCD-DJIMGWMZSA-N
XLogP2.76
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one (CID 122669071) is (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one is C[C@@H]1CC2(CC[C@H]1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)OCCO2.
What is the InChIKey of (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is WXHOPFDFMUTTCD-DJIMGWMZSA-N. The full InChI is InChI=1S/C20H25NO5/c1-14-12-20(25-9-10-26-20)8-7-17(14)18(22)21-16(13-24-19(21)23)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t14-,16-,17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 359.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(7R,8R)-7-methyl-1,4-dioxaspiro[4.5]decane-8-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122669071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).