(3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one

C16H27N3O3 — CID 153383937

IUPAC(3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one
SMILESCC(C)C1NC(C2CCC3C(CC[C@]34COC(=O)N4)C2)NO1
InChIInChI=1S/C16H27N3O3/c1-9(2)14-17-13(19-22-14)11-3-4-12-10(7-11)5-6-16(12)8-21-15(20)18-16/h9-14,17,19H,3-8H2,1-2H3,(H,18,20)/t10?,11?,12?,13?,14?,16-/m0/s1
InChIKeyDOJXRVHUASUCPI-QRXGVLDSSA-N
MW309.41 g/mol
LogP1.72
Rot. Bonds2

About (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one

(3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one (PubChem CID 153383937) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one.

Molecular Properties

Compound Name(3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one
PubChem CID153383937
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one
SMILESCC(C)C1NC(C2CCC3C(CC[C@]34COC(=O)N4)C2)NO1
InChIInChI=1S/C16H27N3O3/c1-9(2)14-17-13(19-22-14)11-3-4-12-10(7-11)5-6-16(12)8-21-15(20)18-16/h9-14,17,19H,3-8H2,1-2H3,(H,18,20)/t10?,11?,12?,13?,14?,16-/m0/s1
InChIKeyDOJXRVHUASUCPI-QRXGVLDSSA-N
XLogP1.72
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one with MolForge

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Related Compounds

6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one
CID 153383942
6-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one
CID 153383901
spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one
CID 130992733
4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one
CID 105492913
(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
CID 124509752
(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one
CID 1268134
ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
6,6,8,8-tetramethyl-3,7-dioxa-1-azaspiro[4.4]nonan-2-one
CID 79934597
(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
CID 129409253
4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
CID 86665538
4-propan-2-yl-3,5-diazatricyclo[6.2.1.02,7]undec-3-en-6-one
CID 59803023
4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 173062264

Frequently Asked Questions

What is the IUPAC name of (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one?
The IUPAC name of (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one (CID 153383937) is (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one.
What is the SMILES notation for (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one?
The canonical SMILES for (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one is CC(C)C1NC(C2CCC3C(CC[C@]34COC(=O)N4)C2)NO1.
What is the InChIKey of (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one?
The InChIKey is DOJXRVHUASUCPI-QRXGVLDSSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-9(2)14-17-13(19-22-14)11-3-4-12-10(7-11)5-6-16(12)8-21-15(20)18-16/h9-14,17,19H,3-8H2,1-2H3,(H,18,20)/t10?,11?,12?,13?,14?,16-/m0/s1.
What are the key properties of (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one?
(3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one has a molecular weight of 309.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one is sourced from PubChem (CID 153383937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).