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

C14H19N3O3 — CID 153383901

IUPAC6-(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
SMILESCc1nc(C2CCC3C(CCC34COC(=O)N4)C2)no1
InChIInChI=1S/C14H19N3O3/c1-8-15-12(17-20-8)10-2-3-11-9(6-10)4-5-14(11)7-19-13(18)16-14/h9-11H,2-7H2,1H3,(H,16,18)
InChIKeyJRDQWAQIAAHDQX-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.15
Rot. Bonds1

About 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

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 (PubChem CID 153383901) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID153383901
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-(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
SMILESCc1nc(C2CCC3C(CCC34COC(=O)N4)C2)no1
InChIInChI=1S/C14H19N3O3/c1-8-15-12(17-20-8)10-2-3-11-9(6-10)4-5-14(11)7-19-13(18)16-14/h9-11H,2-7H2,1H3,(H,16,18)
InChIKeyJRDQWAQIAAHDQX-UHFFFAOYSA-N
XLogP2.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

(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
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 95817184
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95827488
3-cyclopropyl-N-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-amine
CID 130927334
ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79472027
(1R,8R,9S)-8-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
CID 171709797
spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one
CID 130992733
3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 72867802
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
N,3-dicyclopropyl-1,2,4-oxadiazol-5-amine
CID 62594867
3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole
CID 146512137

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C2CCC3C(CCC34COC(=O)N4)C2)no1.
What is the InChIKey of 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?
The InChIKey is JRDQWAQIAAHDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-15-12(17-20-8)10-2-3-11-9(6-10)4-5-14(11)7-19-13(18)16-14/h9-11H,2-7H2,1H3,(H,16,18).
What are the key properties of 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?
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 has a molecular weight of 277.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153383901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).